AB01311600-01
TL;DR: AB01311600-01 (CAS 903584-67-8) is a chemical compound with molecular formula C22H24N4OS and molecular weight 392.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenylacetamide
Also Known As: AB01311600-01, 2-{[4-cyano-1-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-N-phenylacetamide, 2-((4-cyano-1-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-phenylacetamide, 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenyl-acetamide, 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenylacetamide
| Molecular Formula | C22H24N4OS |
|---|---|
| Molecular Weight | 392.17 g/mol |
| LogP | 4.16308 |
| Topological Polar Surface Area | 69.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.16708 |
| Heavy Atoms | 28 |
| Complexity | 900.98816 |
Chemical Identifiers
| CAS Number | 903584-67-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2N3CCCC3)SCC(=O)NC4=CC=CC=C4)C#N |
Product Overview
AB01311600-01 (CAS 903584-67-8), with molecular formula C22H24N4OS and molecular weight 392.17 g/mol. IUPAC: 2-[(4-cyano-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenylacetamide.
Chemical Property Profile of AB01311600-01
Property Insights of AB01311600-01
The XLogP value of 4.16308 indicates that AB01311600-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01311600-01. Following Lipinski's Rule of Five, AB01311600-01 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 AB01311600-01?
The CAS number of AB01311600-01 is 903584-67-8.
What is the molecular formula of AB01311600-01?
The molecular formula of AB01311600-01 is C22H24N4OS.
What is the molecular weight of AB01311600-01?
The molecular weight of AB01311600-01 is 392.17 g/mol.
Where can I buy AB01311600-01?
You can request a quote for AB01311600-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01311600-01?
Yes, KEHONG BIO provides custom synthesis services for AB01311600-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.