AO-080/42479333
TL;DR: AO-080/42479333 (CAS 632299-62-8) is a chemical compound with molecular formula C18H16FN3O2S and molecular weight 357.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-[[5-[hydroxy(phenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: AO-080/42479333, 1-(4-fluorophenyl)-2-[[5-[hydroxy(phenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-fluorophenyl)-2-({5-[hydroxy(phenyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
| Molecular Formula | C18H16FN3O2S |
|---|---|
| Molecular Weight | 357.09 g/mol |
| LogP | 3.0109 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.09473 |
| Heavy Atoms | 25 |
| Complexity | 865.78754 |
Chemical Identifiers
| CAS Number | 632299-62-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)C(C3=CC=CC=C3)O |
Product Overview
AO-080/42479333 (CAS 632299-62-8), with molecular formula C18H16FN3O2S and molecular weight 357.09 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[[5-[hydroxy(phenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of AO-080/42479333
Property Insights of AO-080/42479333
The XLogP value of 3.0109 indicates that AO-080/42479333 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42479333. Following Lipinski's Rule of Five, AO-080/42479333 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-080/42479333?
The CAS number of AO-080/42479333 is 632299-62-8.
What is the molecular formula of AO-080/42479333?
The molecular formula of AO-080/42479333 is C18H16FN3O2S.
What is the molecular weight of AO-080/42479333?
The molecular weight of AO-080/42479333 is 357.09 g/mol.
Where can I buy AO-080/42479333?
You can request a quote for AO-080/42479333 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42479333?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42479333 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.