AO-080/41280633
TL;DR: AO-080/41280633 (CAS 361983-35-9) is a chemical compound with molecular formula C13H14N4OS and molecular weight 274.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydroindol-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: AO-080/41280633, 1-(2,3-dihydro-1H-indol-1-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one, 1-(2,3-dihydro-1H-indol-1-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(2,3-dihydroindol-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-indolinyl-2-(4-methyl(1,2,4-triazol-3-ylthio))ethan-1-one
| Molecular Formula | C13H14N4OS |
|---|---|
| Molecular Weight | 274.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.08884 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 361983-35-9 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)N2CCC3=CC=CC=C32 |
| InChIKey | QNIXRLGNXDWEPP-UHFFFAOYSA-N |
Product Overview
AO-080/41280633 (CAS 361983-35-9), with molecular formula C13H14N4OS and molecular weight 274.09 g/mol. IUPAC: 1-(2,3-dihydroindol-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of AO-080/41280633
Property Insights of AO-080/41280633
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-080/41280633. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/41280633. Following Lipinski's Rule of Five, AO-080/41280633 has 0 hydrogen bond donor(s) and 4 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-080/41280633?
The CAS number of AO-080/41280633 is 361983-35-9.
What is the molecular formula of AO-080/41280633?
The molecular formula of AO-080/41280633 is C13H14N4OS.
What is the molecular weight of AO-080/41280633?
The molecular weight of AO-080/41280633 is 274.09 g/mol.
Where can I buy AO-080/41280633?
You can request a quote for AO-080/41280633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/41280633?
Yes, KEHONG BIO provides custom synthesis services for AO-080/41280633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.