F0601-0092
TL;DR: F0601-0092 (CAS 689751-01-7) is a chemical compound with molecular formula C20H18FN5O5S and molecular weight 459.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4-fluorophenyl)-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0092, methyl 2-((4-(4-fluorophenyl)-5-((4-methyl-3-nitrobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[[4-(4-fluorophenyl)-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-{[4-(4-fluorophenyl)-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C20H18FN5O5S |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 2.81812 |
| Topological Polar Surface Area | 129.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.10126 |
| Heavy Atoms | 32 |
| Complexity | 1165.6873 |
Chemical Identifiers
| CAS Number | 689751-01-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)OC)[N+](=O)[O-] |
Product Overview
F0601-0092 (CAS 689751-01-7), with molecular formula C20H18FN5O5S and molecular weight 459.10 g/mol. IUPAC: methyl 2-[[4-(4-fluorophenyl)-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0092
Property Insights of F0601-0092
The XLogP value of 2.81812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0601-0092. The TPSA of 129.25 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0092. Following Lipinski's Rule of Five, F0601-0092 has 1 hydrogen bond donor(s) and 8 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 F0601-0092?
The CAS number of F0601-0092 is 689751-01-7.
What is the molecular formula of F0601-0092?
The molecular formula of F0601-0092 is C20H18FN5O5S.
What is the molecular weight of F0601-0092?
The molecular weight of F0601-0092 is 459.10 g/mol.
Where can I buy F0601-0092?
You can request a quote for F0601-0092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0092?
Yes, KEHONG BIO provides custom synthesis services for F0601-0092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.