AO-080/42574165
TL;DR: AO-080/42574165 (CAS 709009-84-7) is a chemical compound with molecular formula C21H21ClN4O2S and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2-[[5-[hydroxy(phenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AO-080/42574165, N-(3-chloro-2-methylphenyl)-2-[[5-[hydroxy(phenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-({4-allyl-5-[hydroxy(phenyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide, 2-({4-allyl-5-[hydroxy(phenyl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-(3-chloro-2-methylphenyl)acetamide
| Molecular Formula | C21H21ClN4O2S |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 4.23842 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.10736 |
| Heavy Atoms | 29 |
| Complexity | 1007.17065 |
Chemical Identifiers
| CAS Number | 709009-84-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)C(C3=CC=CC=C3)O |
Product Overview
AO-080/42574165 (CAS 709009-84-7), with molecular formula C21H21ClN4O2S and molecular weight 428.11 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[[5-[hydroxy(phenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AO-080/42574165
Property Insights of AO-080/42574165
The XLogP value of 4.23842 indicates that AO-080/42574165 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42574165. Following Lipinski's Rule of Five, AO-080/42574165 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 AO-080/42574165?
The CAS number of AO-080/42574165 is 709009-84-7.
What is the molecular formula of AO-080/42574165?
The molecular formula of AO-080/42574165 is C21H21ClN4O2S.
What is the molecular weight of AO-080/42574165?
The molecular weight of AO-080/42574165 is 428.11 g/mol.
Where can I buy AO-080/42574165?
You can request a quote for AO-080/42574165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42574165?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42574165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.