AB00111356-01
TL;DR: AB00111356-01 (CAS 428857-03-8) is a chemical compound with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
Also Known As: AB00111356-01, AN-988/15291102, 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide, 2-({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide
| Molecular Formula | C20H21N5O3S |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 3.1799 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.1365 |
| Heavy Atoms | 29 |
| Complexity | 1034.461 |
Chemical Identifiers
| CAS Number | 428857-03-8 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3OC |
Product Overview
AB00111356-01 (CAS 428857-03-8), with molecular formula C20H21N5O3S and molecular weight 411.14 g/mol. IUPAC: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide.
Chemical Property Profile of AB00111356-01
Property Insights of AB00111356-01
The XLogP value of 3.1799 indicates that AB00111356-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111356-01. Following Lipinski's Rule of Five, AB00111356-01 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 AB00111356-01?
The CAS number of AB00111356-01 is 428857-03-8.
What is the molecular formula of AB00111356-01?
The molecular formula of AB00111356-01 is C20H21N5O3S.
What is the molecular weight of AB00111356-01?
The molecular weight of AB00111356-01 is 411.14 g/mol.
Where can I buy AB00111356-01?
You can request a quote for AB00111356-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111356-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111356-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.