AO-080/42576167
TL;DR: AO-080/42576167 (CAS 908228-87-5) is a chemical compound with molecular formula C26H28N6O2S and molecular weight 488.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[[5-[hydroxy(phenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AO-080/42576167, 2-({4-allyl-5-[hydroxy(phenyl)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)acetamide, N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-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-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)acetamide, N-[3,5-dimethyl-1-benzylpyrazol-4-yl]-2-[5-(hydroxyphenylmethyl)-4-prop-2-enyl (1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C26H28N6O2S |
|---|---|
| Molecular Weight | 488.20 g/mol |
| LogP | 4.13824 |
| Topological Polar Surface Area | 97.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 488.19943 |
| Heavy Atoms | 35 |
| Complexity | 1300.3906 |
Chemical Identifiers
| CAS Number | 908228-87-5 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CSC3=NN=C(N3CC=C)C(C4=CC=CC=C4)O |
Product Overview
AO-080/42576167 (CAS 908228-87-5), with molecular formula C26H28N6O2S and molecular weight 488.20 g/mol. IUPAC: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[[5-[hydroxy(phenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AO-080/42576167
Property Insights of AO-080/42576167
The XLogP value of 4.13824 indicates that AO-080/42576167 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42576167. Following Lipinski's Rule of Five, AO-080/42576167 has 2 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-080/42576167?
The CAS number of AO-080/42576167 is 908228-87-5.
What is the molecular formula of AO-080/42576167?
The molecular formula of AO-080/42576167 is C26H28N6O2S.
What is the molecular weight of AO-080/42576167?
The molecular weight of AO-080/42576167 is 488.20 g/mol.
Where can I buy AO-080/42576167?
You can request a quote for AO-080/42576167 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42576167?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42576167 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.