F0601-0089
TL;DR: F0601-0089 (CAS 689750-86-5) is a chemical compound with molecular formula C17H22N4O5S and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0089, ethyl 2-[(5-{[(3,4-dimethoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl [(5-{[(3,4-dimethoxybenzoyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)thio]acetate, ethyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl 2-((5-((3,4-dimethoxybenzamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C17H22N4O5S |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | 1.4175 |
| Topological Polar Surface Area | 104.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 394.1311 |
| Heavy Atoms | 27 |
| Complexity | 808.6166 |
Chemical Identifiers
| CAS Number | 689750-86-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C)CNC(=O)C2=CC(=C(C=C2)OC)OC |
Product Overview
F0601-0089 (CAS 689750-86-5), with molecular formula C17H22N4O5S and molecular weight 394.13 g/mol. IUPAC: ethyl 2-[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0089
Property Insights of F0601-0089
The XLogP value of 1.4175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0601-0089. The TPSA of 104.57 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0089. Following Lipinski's Rule of Five, F0601-0089 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 F0601-0089?
The CAS number of F0601-0089 is 689750-86-5.
What is the molecular formula of F0601-0089?
The molecular formula of F0601-0089 is C17H22N4O5S.
What is the molecular weight of F0601-0089?
The molecular weight of F0601-0089 is 394.13 g/mol.
Where can I buy F0601-0089?
You can request a quote for F0601-0089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0089?
Yes, KEHONG BIO provides custom synthesis services for F0601-0089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.