3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione structure

3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione

TL;DR: 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione (CAS 879442-01-0) is a chemical compound with molecular formula C27H22N4O5 and molecular weight 482.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

3-[2-(4-methoxyphenyl)ethyl]-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5-dione

Also Known As: 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione, 3-[2-(4-methoxyphenyl)ethyl]-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione, 3-[2-(4-methoxyphenyl)ethyl]-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5-dione

CAS: 879442-01-0
Molecular Formula C27H22N4O5
Molecular Weight 482.16 g/mol
LogP 4.0749
Topological Polar Surface Area 109.26 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 482.15903
Heavy Atoms 36
Complexity 1753.6874

Chemical Identifiers

CAS Number 879442-01-0
SMILES CN1C2=CC=CC=C2C(=O)C3=C1N=C(N(C3=O)CCC4=CC=C(C=C4)OC)C5=CC(=CC=C5)[N+](=O)[O-]

Product Overview

3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione (CAS 879442-01-0), with molecular formula C27H22N4O5 and molecular weight 482.16 g/mol. IUPAC: 3-[2-(4-methoxyphenyl)ethyl]-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5-dione.

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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 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione

XLogP
4.0749
TPSA (Topological Polar Surface Area)
109.26
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
6
Heavy Atoms
36
Complexity
1753.6874
Exact Mass
482.15903
Monoisotopic Mass
482.15903
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 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione

The XLogP value of 4.0749 indicates that 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione. Following Lipinski's Rule of Five, 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

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 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?

The CAS number of 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione is 879442-01-0.

What is the molecular formula of 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?

The molecular formula of 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione is C27H22N4O5.

What is the molecular weight of 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?

The molecular weight of 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione is 482.16 g/mol.

Where can I buy 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?

You can request a quote for 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione?

Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenethyl)-10-methyl-2-(3-nitrophenyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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