ChemDiv1_010963
TL;DR: ChemDiv1_010963 (CAS 329724-71-2) is a chemical compound with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: ChemDiv1_010963, BAS 01127707, 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide, 2-((3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio)-N-(4-methoxyphenyl)acetamide, 2-(3-cyano(2-5,6,7,8-tetrahydroquinolylthio))-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C19H19N3O2S |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 3.57148 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.1198 |
| Heavy Atoms | 25 |
| Complexity | 812.6543 |
Chemical Identifiers
| CAS Number | 329724-71-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=C(C=C3CCCCC3=N2)C#N |
Product Overview
ChemDiv1_010963 (CAS 329724-71-2), with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol. IUPAC: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide.
Chemical Property Profile of ChemDiv1_010963
Property Insights of ChemDiv1_010963
The XLogP value of 3.57148 indicates that ChemDiv1_010963 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010963. Following Lipinski's Rule of Five, ChemDiv1_010963 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010963?
The CAS number of ChemDiv1_010963 is 329724-71-2.
What is the molecular formula of ChemDiv1_010963?
The molecular formula of ChemDiv1_010963 is C19H19N3O2S.
What is the molecular weight of ChemDiv1_010963?
The molecular weight of ChemDiv1_010963 is 353.12 g/mol.
Where can I buy ChemDiv1_010963?
You can request a quote for ChemDiv1_010963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010963?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.