F0601-0031
TL;DR: F0601-0031 (CAS 689747-99-7) is a chemical compound with molecular formula C15H17FN4O3S and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0031, ethyl 2-((5-((3-fluorobenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl 2-[(5-{[(3-fluorophenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C15H17FN4O3S |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 1.5394 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.10052 |
| Heavy Atoms | 24 |
| Complexity | 735.2593 |
Chemical Identifiers
| CAS Number | 689747-99-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C)CNC(=O)C2=CC(=CC=C2)F |
Product Overview
F0601-0031 (CAS 689747-99-7), with molecular formula C15H17FN4O3S and molecular weight 352.10 g/mol. IUPAC: ethyl 2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0031
Property Insights of F0601-0031
The XLogP value of 1.5394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0601-0031. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0031. Following Lipinski's Rule of Five, F0601-0031 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 F0601-0031?
The CAS number of F0601-0031 is 689747-99-7.
What is the molecular formula of F0601-0031?
The molecular formula of F0601-0031 is C15H17FN4O3S.
What is the molecular weight of F0601-0031?
The molecular weight of F0601-0031 is 352.10 g/mol.
Where can I buy F0601-0031?
You can request a quote for F0601-0031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0031?
Yes, KEHONG BIO provides custom synthesis services for F0601-0031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.