AB00110985-01
TL;DR: AB00110985-01 (CAS 429642-14-8) is a chemical compound with molecular formula C19H21N5OS and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
Also Known As: AB00110985-01, 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide, 2-{[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide, AN-988/15291195, 2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-dimethylphenyl)acetamide
| Molecular Formula | C19H21N5OS |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 3.41194 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.14667 |
| Heavy Atoms | 26 |
| Complexity | 930.6026 |
Chemical Identifiers
| CAS Number | 429642-14-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)N |
Product Overview
AB00110985-01 (CAS 429642-14-8), with molecular formula C19H21N5OS and molecular weight 367.15 g/mol. IUPAC: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide.
Chemical Property Profile of AB00110985-01
Property Insights of AB00110985-01
The XLogP value of 3.41194 indicates that AB00110985-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00110985-01. Following Lipinski's Rule of Five, AB00110985-01 has 2 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 AB00110985-01?
The CAS number of AB00110985-01 is 429642-14-8.
What is the molecular formula of AB00110985-01?
The molecular formula of AB00110985-01 is C19H21N5OS.
What is the molecular weight of AB00110985-01?
The molecular weight of AB00110985-01 is 367.15 g/mol.
Where can I buy AB00110985-01?
You can request a quote for AB00110985-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00110985-01?
Yes, KEHONG BIO provides custom synthesis services for AB00110985-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.