AB00737138-01
TL;DR: AB00737138-01 (CAS 326013-76-7) is a chemical compound with molecular formula C17H14ClN3OS and molecular weight 343.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: AB00737138-01, 1-(4-chlorophenyl)-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one, 1-(4-chlorophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(4-chlorophenyl)-2-(5-methyl-4-phenyl(1,2,4-triazol-3-ylthio))ethan-1-one, 1-(4-chlorophenyl)-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]ethanone
| Molecular Formula | C17H14ClN3OS |
|---|---|
| Molecular Weight | 343.05 g/mol |
| LogP | 4.20412 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.0546 |
| Heavy Atoms | 23 |
| Complexity | 815.6147 |
Chemical Identifiers
| CAS Number | 326013-76-7 |
|---|---|
| SMILES | CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)Cl |
Product Overview
AB00737138-01 (CAS 326013-76-7), with molecular formula C17H14ClN3OS and molecular weight 343.05 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of AB00737138-01
Property Insights of AB00737138-01
The XLogP value of 4.20412 indicates that AB00737138-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, AB00737138-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00737138-01 has 0 hydrogen bond donor(s) and 4 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 AB00737138-01?
The CAS number of AB00737138-01 is 326013-76-7.
What is the molecular formula of AB00737138-01?
The molecular formula of AB00737138-01 is C17H14ClN3OS.
What is the molecular weight of AB00737138-01?
The molecular weight of AB00737138-01 is 343.05 g/mol.
Where can I buy AB00737138-01?
You can request a quote for AB00737138-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00737138-01?
Yes, KEHONG BIO provides custom synthesis services for AB00737138-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.