AO-080/42576234
TL;DR: AO-080/42576234 (CAS 709008-66-2) is a chemical compound with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methanol
Also Known As: AO-080/42576234, (4-allyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thio}-4H-1,2,4-triazol-3-yl)(phenyl)methanol, phenyl-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methanol, (4-allyl-5-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)(phenyl)methanol, phenyl{5-[(5-phenyl(1,3,4-oxadiazol-2-yl))methylthio]-4-prop-2-enyl(1,2,4-tria zol-3-yl)}methan-1-ol
| Molecular Formula | C21H19N5O2S |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.8881 |
| Topological Polar Surface Area | 89.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.12595 |
| Heavy Atoms | 29 |
| Complexity | 1078.9216 |
Chemical Identifiers
| CAS Number | 709008-66-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=NN=C(O2)C3=CC=CC=C3)C(C4=CC=CC=C4)O |
Product Overview
AO-080/42576234 (CAS 709008-66-2), with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol. IUPAC: phenyl-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methanol.
Chemical Property Profile of AO-080/42576234
Property Insights of AO-080/42576234
The XLogP value of 3.8881 indicates that AO-080/42576234 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42576234. Following Lipinski's Rule of Five, AO-080/42576234 has 1 hydrogen bond donor(s) and 7 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-080/42576234?
The CAS number of AO-080/42576234 is 709008-66-2.
What is the molecular formula of AO-080/42576234?
The molecular formula of AO-080/42576234 is C21H19N5O2S.
What is the molecular weight of AO-080/42576234?
The molecular weight of AO-080/42576234 is 405.13 g/mol.
Where can I buy AO-080/42576234?
You can request a quote for AO-080/42576234 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42576234?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42576234 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.