AB00112229-01
TL;DR: AB00112229-01 (CAS 430442-42-5) 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-(4-methoxyphenyl)acetamide
Also Known As: AB00112229-01, 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide, 2-((5-(3-acetamidophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-methoxyphenyl)acetamide, 2-({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-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 | 1017.21106 |
Chemical Identifiers
| CAS Number | 430442-42-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)OC |
Product Overview
AB00112229-01 (CAS 430442-42-5), 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-(4-methoxyphenyl)acetamide.
Chemical Property Profile of AB00112229-01
Property Insights of AB00112229-01
The XLogP value of 3.1799 indicates that AB00112229-01 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 AB00112229-01. Following Lipinski's Rule of Five, AB00112229-01 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 AB00112229-01?
The CAS number of AB00112229-01 is 430442-42-5.
What is the molecular formula of AB00112229-01?
The molecular formula of AB00112229-01 is C20H21N5O3S.
What is the molecular weight of AB00112229-01?
The molecular weight of AB00112229-01 is 411.14 g/mol.
Where can I buy AB00112229-01?
You can request a quote for AB00112229-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112229-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112229-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.