F0601-0033
TL;DR: F0601-0033 (CAS 689748-08-1) is a chemical compound with molecular formula C20H19FN4O3S and molecular weight 414.12 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-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0033, ethyl 2-[(5-{[(3-fluorophenyl)formamido]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-((5-((3-fluorobenzamido)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C20H19FN4O3S |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 2.9916 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.11618 |
| Heavy Atoms | 29 |
| Complexity | 994.4012 |
Chemical Identifiers
| CAS Number | 689748-08-1 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)F |
Product Overview
F0601-0033 (CAS 689748-08-1), with molecular formula C20H19FN4O3S and molecular weight 414.12 g/mol. IUPAC: ethyl 2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0033
Property Insights of F0601-0033
The XLogP value of 2.9916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0601-0033. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0033. Following Lipinski's Rule of Five, F0601-0033 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 F0601-0033?
The CAS number of F0601-0033 is 689748-08-1.
What is the molecular formula of F0601-0033?
The molecular formula of F0601-0033 is C20H19FN4O3S.
What is the molecular weight of F0601-0033?
The molecular weight of F0601-0033 is 414.12 g/mol.
Where can I buy F0601-0033?
You can request a quote for F0601-0033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0033?
Yes, KEHONG BIO provides custom synthesis services for F0601-0033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.