ChemDiv1_028529
TL;DR: ChemDiv1_028529 (CAS 369394-47-8) is a chemical compound with molecular formula C23H20ClN3O3S and molecular weight 453.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_028529, AB00685687-01, AE-848/40937579, N-(3-chloro-2-methylphenyl)-2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide, F1155-0290
| Molecular Formula | C23H20ClN3O3S |
|---|---|
| Molecular Weight | 453.09 g/mol |
| LogP | 5.0424 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.0914 |
| Heavy Atoms | 31 |
| Complexity | 1145.3116 |
Chemical Identifiers
| CAS Number | 369394-47-8 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CO4)C#N |
Product Overview
ChemDiv1_028529 (CAS 369394-47-8), with molecular formula C23H20ClN3O3S and molecular weight 453.09 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[[3-cyano-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_028529
Property Insights of ChemDiv1_028529
The XLogP value of 5.0424 indicates that ChemDiv1_028529 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028529. Following Lipinski's Rule of Five, ChemDiv1_028529 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028529?
The CAS number of ChemDiv1_028529 is 369394-47-8.
What is the molecular formula of ChemDiv1_028529?
The molecular formula of ChemDiv1_028529 is C23H20ClN3O3S.
What is the molecular weight of ChemDiv1_028529?
The molecular weight of ChemDiv1_028529 is 453.09 g/mol.
Where can I buy ChemDiv1_028529?
You can request a quote for ChemDiv1_028529 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028529?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028529 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.