F0417-0513
TL;DR: F0417-0513 (CAS 392294-92-7) is a chemical compound with molecular formula C21H20N4O2S2 and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
Also Known As: F0417-0513, N-(5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cinnamamide, (2E)-N-[5-({[(2,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide, (E)-N-[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide, N-{5-[(N-2,5-xylylcarbamoyl)methylthio]-1,3,4-thiadiazol-2-yl}-(E)-cinnamamide
| Molecular Formula | C21H20N4O2S2 |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | 4.53764 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.10278 |
| Heavy Atoms | 29 |
| Complexity | 1032.1702 |
Chemical Identifiers
| CAS Number | 392294-92-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(S2)NC(=O)/C=C/C3=CC=CC=C3 |
Product Overview
F0417-0513 (CAS 392294-92-7), with molecular formula C21H20N4O2S2 and molecular weight 424.10 g/mol. IUPAC: (E)-N-[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide.
Chemical Property Profile of F0417-0513
Property Insights of F0417-0513
The XLogP value of 4.53764 indicates that F0417-0513 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for F0417-0513. Following Lipinski's Rule of Five, F0417-0513 has 2 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 F0417-0513?
The CAS number of F0417-0513 is 392294-92-7.
What is the molecular formula of F0417-0513?
The molecular formula of F0417-0513 is C21H20N4O2S2.
What is the molecular weight of F0417-0513?
The molecular weight of F0417-0513 is 424.10 g/mol.
Where can I buy F0417-0513?
You can request a quote for F0417-0513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0417-0513?
Yes, KEHONG BIO provides custom synthesis services for F0417-0513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.