F0601-0104
TL;DR: F0601-0104 (CAS 689751-58-4) is a chemical compound with molecular formula C22H24N4O4S and molecular weight 440.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-(4-ethoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0104, methyl 2-((4-(4-ethoxyphenyl)-5-((3-methylbenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-{[4-(4-ethoxyphenyl)-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, methyl 2-[[4-(4-ethoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C22H24N4O4S |
|---|---|
| Molecular Weight | 440.15 g/mol |
| LogP | 3.16952 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.15182 |
| Heavy Atoms | 31 |
| Complexity | 1049.9194 |
Chemical Identifiers
| CAS Number | 689751-58-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)CNC(=O)C3=CC=CC(=C3)C |
Product Overview
F0601-0104 (CAS 689751-58-4), with molecular formula C22H24N4O4S and molecular weight 440.15 g/mol. IUPAC: methyl 2-[[4-(4-ethoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0104
Property Insights of F0601-0104
The XLogP value of 3.16952 indicates that F0601-0104 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0104. Following Lipinski's Rule of Five, F0601-0104 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 F0601-0104?
The CAS number of F0601-0104 is 689751-58-4.
What is the molecular formula of F0601-0104?
The molecular formula of F0601-0104 is C22H24N4O4S.
What is the molecular weight of F0601-0104?
The molecular weight of F0601-0104 is 440.15 g/mol.
Where can I buy F0601-0104?
You can request a quote for F0601-0104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0104?
Yes, KEHONG BIO provides custom synthesis services for F0601-0104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.