Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- structure

Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-

TL;DR: Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- (CAS 207128-58-3) is a chemical compound with molecular formula C39H43N11O8 and molecular weight 793.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

N-[5-[[5-(butylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(10-butyl-6-nitro-2,4-dioxopyrimido[4,5-b]quinolin-3-yl)acetyl]amino]-1-methylpyrrole-2-carboxamide

Also Known As: Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-, N-(5-{[5-(Butylcarbamoyl)-1-methyl-1H-pyrrol-3-yl]carbamoyl}-1-methyl-1H-pyrrol-3-yl)-4-[2-(10-butyl-6-nitro-2,4-dioxo-4,10-dihydropyrimido[4,5-b]quinolin-3(2H)-yl)acetamido]-1-methyl-1H-pyrrole-2-carboxamide, N-[5-[[5-(butylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(10-butyl-6-nitro-2,4-dioxopyrimido[4,5-b]quinolin-3-yl)acetyl]amino]-1-methylpyrrole-2-carboxamide

CAS: 207128-58-3
Molecular Formula C39H43N11O8
Molecular Weight 793.33 g/mol
LogP 2.5
Topological Polar Surface Area 230.0 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
Rotatable Bonds 14
Exact Mass 793.3296
Heavy Atoms 58
Complexity 1680.0

Chemical Identifiers

CAS Number 207128-58-3
SMILES CCCCNC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)CN4C(=O)C5=CC6=C(C=CC=C6[N+](=O)[O-])N(C5=NC4=O)CCCC
InChIKey RICLFPONNXHBPK-UHFFFAOYSA-N

Product Overview

Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- (CAS 207128-58-3), with molecular formula C39H43N11O8 and molecular weight 793.33 g/mol. IUPAC: N-[5-[[5-(butylcarbamoyl)-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[[2-(10-butyl-6-nitro-2,4-dioxopyrimido[4,5-b]quinolin-3-yl)acetyl]amino]-1-methylpyrrole-2-carboxamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-

XLogP
2.5
TPSA (Topological Polar Surface Area)
230.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
8
Rotatable Bonds
14
Heavy Atoms
58
Complexity
1680.0
Exact Mass
793.3296
Monoisotopic Mass
793.3296
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-

The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-. The TPSA of 230.0 Ų indicates high polarity, suggesting Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-?

The CAS number of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- is 207128-58-3.

What is the molecular formula of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-?

The molecular formula of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- is C39H43N11O8.

What is the molecular weight of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-?

The molecular weight of Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- is 793.33 g/mol.

Where can I buy Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-?

You can request a quote for Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo-?

Yes, KEHONG BIO provides custom synthesis services for Pyrimido(4,5-b)quinoline-3(2H)-acetamide, 10-butyl-N-(5-(((5-(((5-((butylamino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4,10-dihydro-6-nitro-2,4-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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