F0601-0029
TL;DR: F0601-0029 (CAS 689747-89-5) is a chemical compound with molecular formula C21H18F4N4O3S and molecular weight 482.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0029, ethyl 2-((5-((2-fluorobenzamido)methyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[(5-{[(2-fluorophenyl)formamido]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl {5-[(o-fluorobenzylamino)methyl]-4-[m-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-ylthio}acetate
| Molecular Formula | C21H18F4N4O3S |
|---|---|
| Molecular Weight | 482.10 g/mol |
| LogP | 4.0104 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.10358 |
| Heavy Atoms | 33 |
| Complexity | 1150.5336 |
Chemical Identifiers
| CAS Number | 689747-89-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=CC(=C2)C(F)(F)F)CNC(=O)C3=CC=CC=C3F |
Product Overview
F0601-0029 (CAS 689747-89-5), with molecular formula C21H18F4N4O3S and molecular weight 482.10 g/mol. IUPAC: ethyl 2-[[5-[[(2-fluorobenzoyl)amino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0029
Property Insights of F0601-0029
The XLogP value of 4.0104 indicates that F0601-0029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0029. Following Lipinski's Rule of Five, F0601-0029 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 F0601-0029?
The CAS number of F0601-0029 is 689747-89-5.
What is the molecular formula of F0601-0029?
The molecular formula of F0601-0029 is C21H18F4N4O3S.
What is the molecular weight of F0601-0029?
The molecular weight of F0601-0029 is 482.10 g/mol.
Where can I buy F0601-0029?
You can request a quote for F0601-0029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0029?
Yes, KEHONG BIO provides custom synthesis services for F0601-0029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.