AO-080/41039351
TL;DR: AO-080/41039351 (CAS 497837-44-2) is a chemical compound with molecular formula C19H19ClN4O2S and molecular weight 402.09 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-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AO-080/41039351, N-(3-chloro-2-methylphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-2-methylphenyl)-2-{[5-(methoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, Cambridge id 7013580
| Molecular Formula | C19H19ClN4O2S |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 4.10632 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.09174 |
| Heavy Atoms | 27 |
| Complexity | 930.714 |
Chemical Identifiers
| CAS Number | 497837-44-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC |
Product Overview
AO-080/41039351 (CAS 497837-44-2), with molecular formula C19H19ClN4O2S and molecular weight 402.09 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AO-080/41039351
Property Insights of AO-080/41039351
The XLogP value of 4.10632 indicates that AO-080/41039351 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/41039351. Following Lipinski's Rule of Five, AO-080/41039351 has 1 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-080/41039351?
The CAS number of AO-080/41039351 is 497837-44-2.
What is the molecular formula of AO-080/41039351?
The molecular formula of AO-080/41039351 is C19H19ClN4O2S.
What is the molecular weight of AO-080/41039351?
The molecular weight of AO-080/41039351 is 402.09 g/mol.
Where can I buy AO-080/41039351?
You can request a quote for AO-080/41039351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/41039351?
Yes, KEHONG BIO provides custom synthesis services for AO-080/41039351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.