AB00111352-01
TL;DR: AB00111352-01 (CAS 421570-31-2) is a chemical compound with molecular formula C18H19N5O2S and molecular weight 369.13 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-methoxyphenyl)acetamide
Also Known As: AB00111352-01, AN-988/15291086, 2-{[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide, 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
| Molecular Formula | C18H19N5O2S |
|---|---|
| Molecular Weight | 369.13 g/mol |
| LogP | 2.8037 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.12595 |
| Heavy Atoms | 26 |
| Complexity | 925.4498 |
Chemical Identifiers
| CAS Number | 421570-31-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)C3=CC(=CC=C3)N |
Product Overview
AB00111352-01 (CAS 421570-31-2), with molecular formula C18H19N5O2S and molecular weight 369.13 g/mol. IUPAC: 2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide.
Chemical Property Profile of AB00111352-01
Property Insights of AB00111352-01
The XLogP value of 2.8037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00111352-01. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111352-01. Following Lipinski's Rule of Five, AB00111352-01 has 2 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 AB00111352-01?
The CAS number of AB00111352-01 is 421570-31-2.
What is the molecular formula of AB00111352-01?
The molecular formula of AB00111352-01 is C18H19N5O2S.
What is the molecular weight of AB00111352-01?
The molecular weight of AB00111352-01 is 369.13 g/mol.
Where can I buy AB00111352-01?
You can request a quote for AB00111352-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111352-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111352-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.