5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one
TL;DR: 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one (CAS 53865-27-3) is a chemical compound with molecular formula C16H11ClN2OS and molecular weight 314.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-benzylidene-3-(4-chlorophenyl)-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one, (5E)-5-benzylidene-3-(4-chlorophenyl)-2-sulfanylideneimidazolidin-4-one
| Molecular Formula | C16H11ClN2OS |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | 3.6022 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.02808 |
| Heavy Atoms | 21 |
| Complexity | 725.702 |
Chemical Identifiers
| CAS Number | 53865-27-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)N2)C3=CC=C(C=C3)Cl |
Product Overview
5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one (CAS 53865-27-3), with molecular formula C16H11ClN2OS and molecular weight 314.03 g/mol. IUPAC: (5E)-5-benzylidene-3-(4-chlorophenyl)-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one
Property Insights of 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one
The XLogP value of 3.6022 indicates that 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one has 1 hydrogen bond donor(s) and 2 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 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one?
The CAS number of 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one is 53865-27-3.
What is the molecular formula of 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one?
The molecular formula of 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one is C16H11ClN2OS.
What is the molecular weight of 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one?
The molecular weight of 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one is 314.03 g/mol.
Where can I buy 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one?
You can request a quote for 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylidene-3-(4-chlorophenyl)-2-thioxoimidazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.