F0528-0792
TL;DR: F0528-0792 (CAS 476450-75-6) is a chemical compound with molecular formula C21H21FN4O4S and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(4-fluorophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: F0528-0792, ethyl 2-((4-(4-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-{[4-(4-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl 2-[[4-(4-fluorophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C21H21FN4O4S |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 3.0002 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 444.12674 |
| Heavy Atoms | 31 |
| Complexity | 1038.5382 |
Chemical Identifiers
| CAS Number | 476450-75-6 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=C(C=C3)OC |
Product Overview
F0528-0792 (CAS 476450-75-6), with molecular formula C21H21FN4O4S and molecular weight 444.13 g/mol. IUPAC: ethyl 2-[[4-(4-fluorophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of F0528-0792
Property Insights of F0528-0792
The XLogP value of 3.0002 indicates that F0528-0792 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 F0528-0792. Following Lipinski's Rule of Five, F0528-0792 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 F0528-0792?
The CAS number of F0528-0792 is 476450-75-6.
What is the molecular formula of F0528-0792?
The molecular formula of F0528-0792 is C21H21FN4O4S.
What is the molecular weight of F0528-0792?
The molecular weight of F0528-0792 is 444.13 g/mol.
Where can I buy F0528-0792?
You can request a quote for F0528-0792 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0528-0792?
Yes, KEHONG BIO provides custom synthesis services for F0528-0792 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.