AB00792357-01
TL;DR: AB00792357-01 (CAS 714293-02-4) is a chemical compound with molecular formula C18H16ClN3O3S and molecular weight 389.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
Also Known As: AB00792357-01, 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone, 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone, 1-(3,4-dihydroxyphenyl)-2-[5-(4-chlorophenyl)-4-ethyl(1,2,4-triazol-3-ylthio)] ethan-1-one, 1-[3,4-bis(oxidanyl)phenyl]-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C18H16ClN3O3S |
|---|---|
| Molecular Weight | 389.06 g/mol |
| LogP | 4.0046 |
| Topological Polar Surface Area | 88.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.0601 |
| Heavy Atoms | 26 |
| Complexity | 941.35443 |
Chemical Identifiers
| CAS Number | 714293-02-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)C3=CC=C(C=C3)Cl |
Product Overview
AB00792357-01 (CAS 714293-02-4), with molecular formula C18H16ClN3O3S and molecular weight 389.06 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of AB00792357-01
Property Insights of AB00792357-01
The XLogP value of 4.0046 indicates that AB00792357-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00792357-01. Following Lipinski's Rule of Five, AB00792357-01 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 AB00792357-01?
The CAS number of AB00792357-01 is 714293-02-4.
What is the molecular formula of AB00792357-01?
The molecular formula of AB00792357-01 is C18H16ClN3O3S.
What is the molecular weight of AB00792357-01?
The molecular weight of AB00792357-01 is 389.06 g/mol.
Where can I buy AB00792357-01?
You can request a quote for AB00792357-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00792357-01?
Yes, KEHONG BIO provides custom synthesis services for AB00792357-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.