AO-080/12099194
TL;DR: AO-080/12099194 (CAS 325694-22-2) is a chemical compound with molecular formula C22H18N4O2S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: AO-080/12099194, 1-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-4h-1,2,4-triazol-3-yl)thio]ethanone, 1-(4-methoxyphenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, 1-(4-methoxyphenyl)-2-{[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C22H18N4O2S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 4.3129 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.11505 |
| Heavy Atoms | 29 |
| Complexity | 1096.8876 |
Chemical Identifiers
| CAS Number | 325694-22-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4 |
Product Overview
AO-080/12099194 (CAS 325694-22-2), with molecular formula C22H18N4O2S and molecular weight 402.12 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of AO-080/12099194
Property Insights of AO-080/12099194
The XLogP value of 4.3129 indicates that AO-080/12099194 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/12099194. Following Lipinski's Rule of Five, AO-080/12099194 has 0 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 AO-080/12099194?
The CAS number of AO-080/12099194 is 325694-22-2.
What is the molecular formula of AO-080/12099194?
The molecular formula of AO-080/12099194 is C22H18N4O2S.
What is the molecular weight of AO-080/12099194?
The molecular weight of AO-080/12099194 is 402.12 g/mol.
Where can I buy AO-080/12099194?
You can request a quote for AO-080/12099194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/12099194?
Yes, KEHONG BIO provides custom synthesis services for AO-080/12099194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.