F0417-0591
TL;DR: F0417-0591 (CAS 392295-52-2) is a chemical compound with molecular formula C20H19ClN4O3S2 and molecular weight 462.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: F0417-0591, 2-(4-chlorophenoxy)-N-[5-({[(2,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]acetamide, 2-(4-chlorophenoxy)-N-(5-((2-((2,4-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide, 2-(4-chlorophenoxy)-N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
| Molecular Formula | C20H19ClN4O3S2 |
|---|---|
| Molecular Weight | 462.06 g/mol |
| LogP | 4.55664 |
| Topological Polar Surface Area | 93.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.05872 |
| Heavy Atoms | 30 |
| Complexity | 1040.7858 |
Chemical Identifiers
| CAS Number | 392295-52-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)Cl)C |
Product Overview
F0417-0591 (CAS 392295-52-2), with molecular formula C20H19ClN4O3S2 and molecular weight 462.06 g/mol. IUPAC: 2-(4-chlorophenoxy)-N-[5-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of F0417-0591
Property Insights of F0417-0591
The XLogP value of 4.55664 indicates that F0417-0591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.21 Ų falls within the moderate polarity range, balancing permeability and solubility for F0417-0591. Following Lipinski's Rule of Five, F0417-0591 has 2 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 F0417-0591?
The CAS number of F0417-0591 is 392295-52-2.
What is the molecular formula of F0417-0591?
The molecular formula of F0417-0591 is C20H19ClN4O3S2.
What is the molecular weight of F0417-0591?
The molecular weight of F0417-0591 is 462.06 g/mol.
Where can I buy F0417-0591?
You can request a quote for F0417-0591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0417-0591?
Yes, KEHONG BIO provides custom synthesis services for F0417-0591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.