ChemDiv1_013564
TL;DR: ChemDiv1_013564 (CAS 422290-26-4) is a chemical compound with molecular formula C29H29ClN4O5S and molecular weight 580.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Also Known As: ChemDiv1_013564, 3-[2-({[(2-chlorophenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide, F3407-3928, 3-(2-((2-((2-chlorophenyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-(3,4-dimethoxyphenethyl)propanamide, 3-[2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
| Molecular Formula | C29H29ClN4O5S |
|---|---|
| Molecular Weight | 580.15 g/mol |
| LogP | 4.5469 |
| Topological Polar Surface Area | 111.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 580.1547 |
| Heavy Atoms | 40 |
| Complexity | 1576.1 |
Chemical Identifiers
| CAS Number | 422290-26-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC=C4Cl)OC |
Product Overview
ChemDiv1_013564 (CAS 422290-26-4), with molecular formula C29H29ClN4O5S and molecular weight 580.15 g/mol. IUPAC: 3-[2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
Chemical Property Profile of ChemDiv1_013564
Property Insights of ChemDiv1_013564
The XLogP value of 4.5469 indicates that ChemDiv1_013564 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013564. Following Lipinski's Rule of Five, ChemDiv1_013564 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013564?
The CAS number of ChemDiv1_013564 is 422290-26-4.
What is the molecular formula of ChemDiv1_013564?
The molecular formula of ChemDiv1_013564 is C29H29ClN4O5S.
What is the molecular weight of ChemDiv1_013564?
The molecular weight of ChemDiv1_013564 is 580.15 g/mol.
Where can I buy ChemDiv1_013564?
You can request a quote for ChemDiv1_013564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013564?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.