AN-698/42147502
TL;DR: AN-698/42147502 (CAS 723297-79-8) is a chemical compound with molecular formula C21H21F3N4O2S and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: AN-698/42147502, 2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-{[4-ethyl-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C21H21F3N4O2S |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 4.93502 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.13373 |
| Heavy Atoms | 31 |
| Complexity | 1035.8492 |
Chemical Identifiers
| CAS Number | 723297-79-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)COC3=CC=C(C=C3)C |
Product Overview
AN-698/42147502 (CAS 723297-79-8), with molecular formula C21H21F3N4O2S and molecular weight 450.13 g/mol. IUPAC: 2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AN-698/42147502
Property Insights of AN-698/42147502
The XLogP value of 4.93502 indicates that AN-698/42147502 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/42147502. Following Lipinski's Rule of Five, AN-698/42147502 has 1 hydrogen bond donor(s) and 5 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-698/42147502?
The CAS number of AN-698/42147502 is 723297-79-8.
What is the molecular formula of AN-698/42147502?
The molecular formula of AN-698/42147502 is C21H21F3N4O2S.
What is the molecular weight of AN-698/42147502?
The molecular weight of AN-698/42147502 is 450.13 g/mol.
Where can I buy AN-698/42147502?
You can request a quote for AN-698/42147502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/42147502?
Yes, KEHONG BIO provides custom synthesis services for AN-698/42147502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.