(Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate structure

(Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

TL;DR: (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 850189-67-2) is a chemical compound with molecular formula C29H32N4O7 and molecular weight 548.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

ethyl 6-(3,5-dimethoxybenzoyl)imino-7-(3-ethoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate

Also Known As: (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-2-{[(3,5-dimethoxyphenyl)carbonyl]imino}-1-(3-ethoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

CAS: 850189-67-2
Molecular Formula C29H32N4O7
Molecular Weight 548.23 g/mol
LogP 3.31922
Topological Polar Surface Area 122.72 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 10
Exact Mass 548.2271
Heavy Atoms 40
Complexity 1682.9994

Chemical Identifiers

CAS Number 850189-67-2
SMILES CCOCCCN1C2=C(C=C(C1=NC(=O)C3=CC(=CC(=C3)OC)OC)C(=O)OCC)C(=O)N4C=CC=C(C4=N2)C

Product Overview

(Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 850189-67-2), with molecular formula C29H32N4O7 and molecular weight 548.23 g/mol. IUPAC: ethyl 6-(3,5-dimethoxybenzoyl)imino-7-(3-ethoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.

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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 (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

XLogP
3.31922
TPSA (Topological Polar Surface Area)
122.72
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
8
Rotatable Bonds
10
Heavy Atoms
40
Complexity
1682.9994
Exact Mass
548.2271
Monoisotopic Mass
548.2271
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 (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate

The XLogP value of 3.31922 indicates that (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate. Following Lipinski's Rule of Five, (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate has 0 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 (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?

The CAS number of (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 850189-67-2.

What is the molecular formula of (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?

The molecular formula of (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is C29H32N4O7.

What is the molecular weight of (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?

The molecular weight of (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 548.23 g/mol.

Where can I buy (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?

You can request a quote for (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate?

Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-((3,5-dimethoxybenzoyl)imino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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