AO-080/42479879
TL;DR: AO-080/42479879 (CAS 650594-98-2) is a chemical compound with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
Also Known As: AO-080/42479879, 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone, 2-{[4-amino-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone
| Molecular Formula | C21H22N4O2S |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 3.4247 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.14636 |
| Heavy Atoms | 28 |
| Complexity | 971.7919 |
Chemical Identifiers
| CAS Number | 650594-98-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC(=C2)C(=O)CSC3=NN=C(N3N)COC4=CC=CC=C4 |
Product Overview
AO-080/42479879 (CAS 650594-98-2), with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol. IUPAC: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
Chemical Property Profile of AO-080/42479879
Property Insights of AO-080/42479879
The XLogP value of 3.4247 indicates that AO-080/42479879 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42479879. Following Lipinski's Rule of Five, AO-080/42479879 has 1 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-080/42479879?
The CAS number of AO-080/42479879 is 650594-98-2.
What is the molecular formula of AO-080/42479879?
The molecular formula of AO-080/42479879 is C21H22N4O2S.
What is the molecular weight of AO-080/42479879?
The molecular weight of AO-080/42479879 is 394.15 g/mol.
Where can I buy AO-080/42479879?
You can request a quote for AO-080/42479879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42479879?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42479879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.