F0601-0087
TL;DR: F0601-0087 (CAS 689750-76-3) is a chemical compound with molecular formula C22H23FN4O5S and molecular weight 474.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0087, ethyl 2-((5-((2,4-dimethoxybenzamido)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[(5-{[(2,4-dimethoxyphenyl)formamido]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-[[5-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C22H23FN4O5S |
|---|---|
| Molecular Weight | 474.14 g/mol |
| LogP | 3.0088 |
| Topological Polar Surface Area | 104.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 474.13733 |
| Heavy Atoms | 33 |
| Complexity | 1120.474 |
Chemical Identifiers
| CAS Number | 689750-76-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=C(C=C(C=C3)OC)OC |
Product Overview
F0601-0087 (CAS 689750-76-3), with molecular formula C22H23FN4O5S and molecular weight 474.14 g/mol. IUPAC: ethyl 2-[[5-[[(2,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0087
Property Insights of F0601-0087
The XLogP value of 3.0088 indicates that F0601-0087 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.57 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0087. Following Lipinski's Rule of Five, F0601-0087 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 F0601-0087?
The CAS number of F0601-0087 is 689750-76-3.
What is the molecular formula of F0601-0087?
The molecular formula of F0601-0087 is C22H23FN4O5S.
What is the molecular weight of F0601-0087?
The molecular weight of F0601-0087 is 474.14 g/mol.
Where can I buy F0601-0087?
You can request a quote for F0601-0087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0087?
Yes, KEHONG BIO provides custom synthesis services for F0601-0087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.