AO-080/41810236
TL;DR: AO-080/41810236 (CAS 667867-47-2) is a chemical compound with molecular formula C17H22N4O2S and molecular weight 346.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-[[5-(2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AO-080/41810236, 2-((4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(tert-butyl)acetamide, 2-{[4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide, 2-{[4-allyl-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N-(tert-butyl)acetamide, N-tert-butyl-2-[[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-prop-2-enyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C17H22N4O2S |
|---|---|
| Molecular Weight | 346.15 g/mol |
| LogP | 2.8435 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.14636 |
| Heavy Atoms | 24 |
| Complexity | 734.43207 |
Chemical Identifiers
| CAS Number | 667867-47-2 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2O |
Product Overview
AO-080/41810236 (CAS 667867-47-2), with molecular formula C17H22N4O2S and molecular weight 346.15 g/mol. IUPAC: N-tert-butyl-2-[[5-(2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AO-080/41810236
Property Insights of AO-080/41810236
The XLogP value of 2.8435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-080/41810236. The TPSA of 80.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/41810236. Following Lipinski's Rule of Five, AO-080/41810236 has 2 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-080/41810236?
The CAS number of AO-080/41810236 is 667867-47-2.
What is the molecular formula of AO-080/41810236?
The molecular formula of AO-080/41810236 is C17H22N4O2S.
What is the molecular weight of AO-080/41810236?
The molecular weight of AO-080/41810236 is 346.15 g/mol.
Where can I buy AO-080/41810236?
You can request a quote for AO-080/41810236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/41810236?
Yes, KEHONG BIO provides custom synthesis services for AO-080/41810236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.