AB01301957-01
TL;DR: AB01301957-01 (CAS 903195-95-9) is a chemical compound with molecular formula C23H26N4O2S and molecular weight 422.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Also Known As: AB01301957-01, 2-{[4-cyano-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide, 2-((4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(m-tolyl)acetamide, 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
| Molecular Formula | C23H26N4O2S |
|---|---|
| Molecular Weight | 422.18 g/mol |
| LogP | 3.7079 |
| Topological Polar Surface Area | 78.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.17764 |
| Heavy Atoms | 30 |
| Complexity | 979.89886 |
Chemical Identifiers
| CAS Number | 903195-95-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=C(C3=C(CCCC3)C(=N2)N4CCOCC4)C#N |
Product Overview
AB01301957-01 (CAS 903195-95-9), with molecular formula C23H26N4O2S and molecular weight 422.18 g/mol. IUPAC: 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of AB01301957-01
Property Insights of AB01301957-01
The XLogP value of 3.7079 indicates that AB01301957-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01301957-01. Following Lipinski's Rule of Five, AB01301957-01 has 1 hydrogen bond donor(s) and 6 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 AB01301957-01?
The CAS number of AB01301957-01 is 903195-95-9.
What is the molecular formula of AB01301957-01?
The molecular formula of AB01301957-01 is C23H26N4O2S.
What is the molecular weight of AB01301957-01?
The molecular weight of AB01301957-01 is 422.18 g/mol.
Where can I buy AB01301957-01?
You can request a quote for AB01301957-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01301957-01?
Yes, KEHONG BIO provides custom synthesis services for AB01301957-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.