AO-080/42479459
TL;DR: AO-080/42479459 (CAS 634172-50-2) is a chemical compound with molecular formula C18H16F3N5O2S and molecular weight 423.10 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]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: AO-080/42479459, 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-{[4-amino-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C18H16F3N5O2S |
|---|---|
| Molecular Weight | 423.10 g/mol |
| LogP | 3.3205 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.0977 |
| Heavy Atoms | 29 |
| Complexity | 979.128 |
Chemical Identifiers
| CAS Number | 634172-50-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3C(F)(F)F |
Product Overview
AO-080/42479459 (CAS 634172-50-2), with molecular formula C18H16F3N5O2S and molecular weight 423.10 g/mol. IUPAC: 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AO-080/42479459
Property Insights of AO-080/42479459
The XLogP value of 3.3205 indicates that AO-080/42479459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42479459. Following Lipinski's Rule of Five, AO-080/42479459 has 2 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-080/42479459?
The CAS number of AO-080/42479459 is 634172-50-2.
What is the molecular formula of AO-080/42479459?
The molecular formula of AO-080/42479459 is C18H16F3N5O2S.
What is the molecular weight of AO-080/42479459?
The molecular weight of AO-080/42479459 is 423.10 g/mol.
Where can I buy AO-080/42479459?
You can request a quote for AO-080/42479459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42479459?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42479459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.