F0601-0099
TL;DR: F0601-0099 (CAS 689751-32-4) is a chemical compound with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(2,5-dimethylphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0099, ethyl 2-((4-(2,5-dimethylphenyl)-5-((3-methylbenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-{[4-(2,5-dimethylphenyl)-5-{[(3-methylphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl 2-[[4-(2,5-dimethylphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl {5-[(m-toluoylamino)methyl]-4-(2,5-xylyl)-4H-1,2,4-triazol-3-ylthio}acetate
| Molecular Formula | C23H26N4O3S |
|---|---|
| Molecular Weight | 438.17 g/mol |
| LogP | 3.77776 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.17258 |
| Heavy Atoms | 31 |
| Complexity | 1094.1757 |
Chemical Identifiers
| CAS Number | 689751-32-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=C(C=CC(=C2)C)C)CNC(=O)C3=CC=CC(=C3)C |
Product Overview
F0601-0099 (CAS 689751-32-4), with molecular formula C23H26N4O3S and molecular weight 438.17 g/mol. IUPAC: ethyl 2-[[4-(2,5-dimethylphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0099
Property Insights of F0601-0099
The XLogP value of 3.77776 indicates that F0601-0099 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0601-0099. Following Lipinski's Rule of Five, F0601-0099 has 1 hydrogen bond donor(s) and 6 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 F0601-0099?
The CAS number of F0601-0099 is 689751-32-4.
What is the molecular formula of F0601-0099?
The molecular formula of F0601-0099 is C23H26N4O3S.
What is the molecular weight of F0601-0099?
The molecular weight of F0601-0099 is 438.17 g/mol.
Where can I buy F0601-0099?
You can request a quote for F0601-0099 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0099?
Yes, KEHONG BIO provides custom synthesis services for F0601-0099 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.