AO-476/41839744
TL;DR: AO-476/41839744 (CAS 667883-56-9) is a chemical compound with molecular formula C25H28N4OS and molecular weight 432.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
Also Known As: AO-476/41839744, 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone, 1-{[(5-benzyl-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}indoline, 2-[(5-benzyl-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydro-1H-indol-1-yl)ethanone
| Molecular Formula | C25H28N4OS |
|---|---|
| Molecular Weight | 432.20 g/mol |
| LogP | 5.0555 |
| Topological Polar Surface Area | 51.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.1984 |
| Heavy Atoms | 31 |
| Complexity | 1042.6854 |
Chemical Identifiers
| CAS Number | 667883-56-9 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NN=C2SCC(=O)N3CCC4=CC=CC=C43)CC5=CC=CC=C5 |
Product Overview
AO-476/41839744 (CAS 667883-56-9), with molecular formula C25H28N4OS and molecular weight 432.20 g/mol. IUPAC: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone.
Chemical Property Profile of AO-476/41839744
Property Insights of AO-476/41839744
The XLogP value of 5.0555 indicates that AO-476/41839744 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.02 Ų, AO-476/41839744 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-476/41839744 has 0 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-476/41839744?
The CAS number of AO-476/41839744 is 667883-56-9.
What is the molecular formula of AO-476/41839744?
The molecular formula of AO-476/41839744 is C25H28N4OS.
What is the molecular weight of AO-476/41839744?
The molecular weight of AO-476/41839744 is 432.20 g/mol.
Where can I buy AO-476/41839744?
You can request a quote for AO-476/41839744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-476/41839744?
Yes, KEHONG BIO provides custom synthesis services for AO-476/41839744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.