F0721-0042
TL;DR: F0721-0042 (CAS 393839-62-8) is a chemical compound with molecular formula C27H24FN5O4S and molecular weight 533.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-(benzamidomethyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F0721-0042, ethyl 4-(2-{[4-(4-fluorophenyl)-5-[(phenylformamido)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, ethyl 4-[[2-[[5-(benzamidomethyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, ethyl 4-(2-((5-(benzamidomethyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-[({[4-(4-fluorophenyl)-5-{[(phenylcarbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C27H24FN5O4S |
|---|---|
| Molecular Weight | 533.15 g/mol |
| LogP | 4.2439 |
| Topological Polar Surface Area | 115.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 533.1533 |
| Heavy Atoms | 38 |
| Complexity | 1409.9258 |
Chemical Identifiers
| CAS Number | 393839-62-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)C4=CC=CC=C4 |
Product Overview
F0721-0042 (CAS 393839-62-8), with molecular formula C27H24FN5O4S and molecular weight 533.15 g/mol. IUPAC: ethyl 4-[[2-[[5-(benzamidomethyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F0721-0042
Property Insights of F0721-0042
The XLogP value of 4.2439 indicates that F0721-0042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.21 Ų falls within the moderate polarity range, balancing permeability and solubility for F0721-0042. Following Lipinski's Rule of Five, F0721-0042 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0721-0042?
The CAS number of F0721-0042 is 393839-62-8.
What is the molecular formula of F0721-0042?
The molecular formula of F0721-0042 is C27H24FN5O4S.
What is the molecular weight of F0721-0042?
The molecular weight of F0721-0042 is 533.15 g/mol.
Where can I buy F0721-0042?
You can request a quote for F0721-0042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0721-0042?
Yes, KEHONG BIO provides custom synthesis services for F0721-0042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.