AB01300804-01
TL;DR: AB01300804-01 (CAS 371124-15-1) is a chemical compound with molecular formula C19H18ClN3OS and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide
Also Known As: AB01300804-01, AF-399/40888195, N-(4-chlorophenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide, N-(4-chlorophenyl)-2-((4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)acetamide, N-(4-chlorophenyl)-2-(4-cyano-1-methyl(3-5,6,7,8-tetrahydroisoquinolylthio))ac etamide
| Molecular Formula | C19H18ClN3OS |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 4.5247 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.0859 |
| Heavy Atoms | 25 |
| Complexity | 843.2282 |
Chemical Identifiers
| CAS Number | 371124-15-1 |
|---|---|
| SMILES | CC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)Cl)C#N |
Product Overview
AB01300804-01 (CAS 371124-15-1), with molecular formula C19H18ClN3OS and molecular weight 371.09 g/mol. IUPAC: N-(4-chlorophenyl)-2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB01300804-01
Property Insights of AB01300804-01
The XLogP value of 4.5247 indicates that AB01300804-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01300804-01. Following Lipinski's Rule of Five, AB01300804-01 has 1 hydrogen bond donor(s) and 4 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 AB01300804-01?
The CAS number of AB01300804-01 is 371124-15-1.
What is the molecular formula of AB01300804-01?
The molecular formula of AB01300804-01 is C19H18ClN3OS.
What is the molecular weight of AB01300804-01?
The molecular weight of AB01300804-01 is 371.09 g/mol.
Where can I buy AB01300804-01?
You can request a quote for AB01300804-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01300804-01?
Yes, KEHONG BIO provides custom synthesis services for AB01300804-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.