AB00684807-01
TL;DR: AB00684807-01 (CAS 852143-08-9) is a chemical compound with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB00684807-01, F0653-0064, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-acetylphenyl)acetamide, N-(4-acetylphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-acetylphenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C21H19N5O2S |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.8968 |
| Topological Polar Surface Area | 92.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.12595 |
| Heavy Atoms | 29 |
| Complexity | 1193.491 |
Chemical Identifiers
| CAS Number | 852143-08-9 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CNC4=CC=CC=C43 |
Product Overview
AB00684807-01 (CAS 852143-08-9), with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol. IUPAC: N-(4-acetylphenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00684807-01
Property Insights of AB00684807-01
The XLogP value of 3.8968 indicates that AB00684807-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.67 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684807-01. Following Lipinski's Rule of Five, AB00684807-01 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 AB00684807-01?
The CAS number of AB00684807-01 is 852143-08-9.
What is the molecular formula of AB00684807-01?
The molecular formula of AB00684807-01 is C21H19N5O2S.
What is the molecular weight of AB00684807-01?
The molecular weight of AB00684807-01 is 405.13 g/mol.
Where can I buy AB00684807-01?
You can request a quote for AB00684807-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684807-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684807-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.