AO-080/41820171
TL;DR: AO-080/41820171 (CAS 667868-36-2) is a chemical compound with molecular formula C27H25F3N4OS and molecular weight 510.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: AO-080/41820171, 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-((5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-{5-[4-(tert-butyl)phenyl]-4-phenyl(1,2,4-triazol-3-ylthio)}-N-[3-(trifluorom ethyl)phenyl]acetamide
| Molecular Formula | C27H25F3N4OS |
|---|---|
| Molecular Weight | 510.17 g/mol |
| LogP | 6.9814 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.1701 |
| Heavy Atoms | 36 |
| Complexity | 1344.1941 |
Chemical Identifiers
| CAS Number | 667868-36-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
AO-080/41820171 (CAS 667868-36-2), with molecular formula C27H25F3N4OS and molecular weight 510.17 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AO-080/41820171
Property Insights of AO-080/41820171
The XLogP value of 6.9814 indicates that AO-080/41820171 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AO-080/41820171 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-080/41820171 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-080/41820171?
The CAS number of AO-080/41820171 is 667868-36-2.
What is the molecular formula of AO-080/41820171?
The molecular formula of AO-080/41820171 is C27H25F3N4OS.
What is the molecular weight of AO-080/41820171?
The molecular weight of AO-080/41820171 is 510.17 g/mol.
Where can I buy AO-080/41820171?
You can request a quote for AO-080/41820171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/41820171?
Yes, KEHONG BIO provides custom synthesis services for AO-080/41820171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.