F0601-0094
TL;DR: F0601-0094 (CAS 689751-11-9) is a chemical compound with molecular formula C23H25FN4O3S and molecular weight 456.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0601-0094, methyl 2-((5-((4-(tert-butyl)benzamido)methyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methyl 2-[(5-{[(4-tert-butylphenyl)formamido]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, methyl 2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C23H25FN4O3S |
|---|---|
| Molecular Weight | 456.16 g/mol |
| LogP | 3.899 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.16315 |
| Heavy Atoms | 32 |
| Complexity | 1089.9244 |
Chemical Identifiers
| CAS Number | 689751-11-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)OC |
Product Overview
F0601-0094 (CAS 689751-11-9), with molecular formula C23H25FN4O3S and molecular weight 456.16 g/mol. IUPAC: methyl 2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0601-0094
Property Insights of F0601-0094
The XLogP value of 3.899 indicates that F0601-0094 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 F0601-0094. Following Lipinski's Rule of Five, F0601-0094 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 F0601-0094?
The CAS number of F0601-0094 is 689751-11-9.
What is the molecular formula of F0601-0094?
The molecular formula of F0601-0094 is C23H25FN4O3S.
What is the molecular weight of F0601-0094?
The molecular weight of F0601-0094 is 456.16 g/mol.
Where can I buy F0601-0094?
You can request a quote for F0601-0094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0601-0094?
Yes, KEHONG BIO provides custom synthesis services for F0601-0094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.