AN-648/42151704
TL;DR: AN-648/42151704 (CAS 662159-10-6) 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-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: AN-648/42151704, 2-({5-[(4-ethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C21H21F3N4O2S |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 4.7061 |
| 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 | 662159-10-6 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
AN-648/42151704 (CAS 662159-10-6), with molecular formula C21H21F3N4O2S and molecular weight 450.13 g/mol. IUPAC: 2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AN-648/42151704
Property Insights of AN-648/42151704
The XLogP value of 4.7061 indicates that AN-648/42151704 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-648/42151704. Following Lipinski's Rule of Five, AN-648/42151704 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-648/42151704?
The CAS number of AN-648/42151704 is 662159-10-6.
What is the molecular formula of AN-648/42151704?
The molecular formula of AN-648/42151704 is C21H21F3N4O2S.
What is the molecular weight of AN-648/42151704?
The molecular weight of AN-648/42151704 is 450.13 g/mol.
Where can I buy AN-648/42151704?
You can request a quote for AN-648/42151704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-648/42151704?
Yes, KEHONG BIO provides custom synthesis services for AN-648/42151704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.