AO-080/42479252
TL;DR: AO-080/42479252 (CAS 540516-66-3) is a chemical compound with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanophenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AO-080/42479252, N-(2-cyanophenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide, N-(2-cyanophenyl)-2-{[5-(phenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H19N5O2S |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.64558 |
| Topological Polar Surface Area | 92.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 405.12595 |
| Heavy Atoms | 29 |
| Complexity | 1027.0508 |
Chemical Identifiers
| CAS Number | 540516-66-3 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C#N)COC3=CC=CC=C3 |
Product Overview
AO-080/42479252 (CAS 540516-66-3), with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol. IUPAC: N-(2-cyanophenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AO-080/42479252
Property Insights of AO-080/42479252
The XLogP value of 3.64558 indicates that AO-080/42479252 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42479252. Following Lipinski's Rule of Five, AO-080/42479252 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-080/42479252?
The CAS number of AO-080/42479252 is 540516-66-3.
What is the molecular formula of AO-080/42479252?
The molecular formula of AO-080/42479252 is C21H19N5O2S.
What is the molecular weight of AO-080/42479252?
The molecular weight of AO-080/42479252 is 405.13 g/mol.
Where can I buy AO-080/42479252?
You can request a quote for AO-080/42479252 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42479252?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42479252 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.