F0417-0247
TL;DR: F0417-0247 (CAS 392292-49-8) is a chemical compound with molecular formula C18H22N4O4S2 and molecular weight 422.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F0417-0247, ethyl 4-(2-{[5-(2,2-dimethylpropanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzoate, ethyl 4-(2-((5-pivalamido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate, Ethyl 4-[[2-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C18H22N4O4S2 |
|---|---|
| Molecular Weight | 422.11 g/mol |
| LogP | 3.4302 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.10825 |
| Heavy Atoms | 28 |
| Complexity | 844.0156 |
Chemical Identifiers
| CAS Number | 392292-49-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C(C)(C)C |
Product Overview
F0417-0247 (CAS 392292-49-8), with molecular formula C18H22N4O4S2 and molecular weight 422.11 g/mol. IUPAC: ethyl 4-[[2-[[5-(2,2-dimethylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F0417-0247
Property Insights of F0417-0247
The XLogP value of 3.4302 indicates that F0417-0247 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.28 Ų falls within the moderate polarity range, balancing permeability and solubility for F0417-0247. Following Lipinski's Rule of Five, F0417-0247 has 2 hydrogen bond donor(s) and 8 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 F0417-0247?
The CAS number of F0417-0247 is 392292-49-8.
What is the molecular formula of F0417-0247?
The molecular formula of F0417-0247 is C18H22N4O4S2.
What is the molecular weight of F0417-0247?
The molecular weight of F0417-0247 is 422.11 g/mol.
Where can I buy F0417-0247?
You can request a quote for F0417-0247 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0417-0247?
Yes, KEHONG BIO provides custom synthesis services for F0417-0247 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.