F0601-0036
TL;DR: F0601-0036 (CAS 689748-20-7) is a chemical compound with molecular formula C20H19FN4O4S and molecular weight 430.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0036, methyl 2-((5-((3-fluorobenzamido)methyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[(5-{[(3-fluorophenyl)formamido]methyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, methyl 2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl {5-[(m-fluorobenzylamino)methyl]-4-(o-methoxyphenyl)-4H-1,2,4-triazol-3-ylthio}acetate
| Molecular Formula | C20H19FN4O4S |
|---|---|
| Molecular Weight | 430.11 g/mol |
| LogP | 2.6101 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.1111 |
| Heavy Atoms | 30 |
| Complexity | 1056.7906 |
Chemical Identifiers
| CAS Number | 689748-20-7 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=NN=C2SCC(=O)OC)CNC(=O)C3=CC(=CC=C3)F |
Product Overview
F0601-0036 (CAS 689748-20-7), with molecular formula C20H19FN4O4S and molecular weight 430.11 g/mol. IUPAC: methyl 2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0036
Property Insights of F0601-0036
The XLogP value of 2.6101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0601-0036. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0036. Following Lipinski's Rule of Five, F0601-0036 has 1 hydrogen bond donor(s) and 7 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 F0601-0036?
The CAS number of F0601-0036 is 689748-20-7.
What is the molecular formula of F0601-0036?
The molecular formula of F0601-0036 is C20H19FN4O4S.
What is the molecular weight of F0601-0036?
The molecular weight of F0601-0036 is 430.11 g/mol.
Where can I buy F0601-0036?
You can request a quote for F0601-0036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0036?
Yes, KEHONG BIO provides custom synthesis services for F0601-0036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.