AB00759839-01
TL;DR: AB00759839-01 (CAS 862116-97-0) is a chemical compound with molecular formula C21H22N4OS and molecular weight 378.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: AB00759839-01, N-(3,4-dimethylphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-dimethylphenyl)acetamide, N-(3,4-dimethylphenyl)-2-(5-phenyl-4-prop-2-enyl(1,2,4-triazol-3-ylthio))aceta mide, N-(3,4-dimethylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C21H22N4OS |
|---|---|
| Molecular Weight | 378.15 g/mol |
| LogP | 4.47874 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.15143 |
| Heavy Atoms | 27 |
| Complexity | 950.0704 |
Chemical Identifiers
| CAS Number | 862116-97-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)C |
Product Overview
AB00759839-01 (CAS 862116-97-0), with molecular formula C21H22N4OS and molecular weight 378.15 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of AB00759839-01
Property Insights of AB00759839-01
The XLogP value of 4.47874 indicates that AB00759839-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AB00759839-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00759839-01 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 AB00759839-01?
The CAS number of AB00759839-01 is 862116-97-0.
What is the molecular formula of AB00759839-01?
The molecular formula of AB00759839-01 is C21H22N4OS.
What is the molecular weight of AB00759839-01?
The molecular weight of AB00759839-01 is 378.15 g/mol.
Where can I buy AB00759839-01?
You can request a quote for AB00759839-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00759839-01?
Yes, KEHONG BIO provides custom synthesis services for AB00759839-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.