1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone
TL;DR: 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone (CAS 49696-21-1) is a chemical compound with molecular formula C11H9ClOS2 and molecular weight 255.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone
Also Known As: 1-(4-chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone
| Molecular Formula | C11H9ClOS2 |
|---|---|
| Molecular Weight | 255.98 g/mol |
| LogP | 3.8441 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.97833 |
| Heavy Atoms | 15 |
| Complexity | 389.55386 |
Chemical Identifiers
| CAS Number | 49696-21-1 |
|---|---|
| SMILES | C1CSC(=CC(=O)C2=CC=C(C=C2)Cl)S1 |
Product Overview
1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone (CAS 49696-21-1), with molecular formula C11H9ClOS2 and molecular weight 255.98 g/mol. IUPAC: 1-(4-chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone.
Chemical Property Profile of 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone
Property Insights of 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone
The XLogP value of 3.8441 indicates that 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone has 0 hydrogen bond donor(s) and 3 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 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone?
The CAS number of 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone is 49696-21-1.
What is the molecular formula of 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone?
The molecular formula of 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone is C11H9ClOS2.
What is the molecular weight of 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone?
The molecular weight of 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone is 255.98 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone?
You can request a quote for 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2-(1,3-dithiolan-2-ylidene)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.