AN-698/42147505
TL;DR: AN-698/42147505 (CAS 694500-19-1) 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-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: AN-698/42147505, 2-{[4-amino-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[[4-amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(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 | 694500-19-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
AN-698/42147505 (CAS 694500-19-1), 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-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AN-698/42147505
Property Insights of AN-698/42147505
The XLogP value of 3.3205 indicates that AN-698/42147505 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 AN-698/42147505. Following Lipinski's Rule of Five, AN-698/42147505 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 AN-698/42147505?
The CAS number of AN-698/42147505 is 694500-19-1.
What is the molecular formula of AN-698/42147505?
The molecular formula of AN-698/42147505 is C18H16F3N5O2S.
What is the molecular weight of AN-698/42147505?
The molecular weight of AN-698/42147505 is 423.10 g/mol.
Where can I buy AN-698/42147505?
You can request a quote for AN-698/42147505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42147505?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42147505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.