F0698-0399
TL;DR: F0698-0399 (CAS 864919-40-4) is a chemical compound with molecular formula C19H16ClN3O3S2 and molecular weight 433.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F0698-0399, ethyl 4-(2-{[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamido)benzoate, Ethyl 4-[[2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetyl]amino]benzoate, ethyl 4-(2-((3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl)thio)acetamido)benzoate, ethyl p-({[3-(o-chlorophenyl)-1,2,4-thiadiazol-5-ylthio]methyl}carbonylamino)benzoate
| Molecular Formula | C19H16ClN3O3S2 |
|---|---|
| Molecular Weight | 433.03 g/mol |
| LogP | 4.766 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.03217 |
| Heavy Atoms | 28 |
| Complexity | 976.565 |
Chemical Identifiers
| CAS Number | 864919-40-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NS2)C3=CC=CC=C3Cl |
Product Overview
F0698-0399 (CAS 864919-40-4), with molecular formula C19H16ClN3O3S2 and molecular weight 433.03 g/mol. IUPAC: ethyl 4-[[2-[[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F0698-0399
Property Insights of F0698-0399
The XLogP value of 4.766 indicates that F0698-0399 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for F0698-0399. Following Lipinski's Rule of Five, F0698-0399 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 F0698-0399?
The CAS number of F0698-0399 is 864919-40-4.
What is the molecular formula of F0698-0399?
The molecular formula of F0698-0399 is C19H16ClN3O3S2.
What is the molecular weight of F0698-0399?
The molecular weight of F0698-0399 is 433.03 g/mol.
Where can I buy F0698-0399?
You can request a quote for F0698-0399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0698-0399?
Yes, KEHONG BIO provides custom synthesis services for F0698-0399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.