![3-[(4-Chlorophenyl)thio]pentane-2,4-dione structure](/static/products/1327/132787-93-0.webp)
3-[(4-Chlorophenyl)thio]pentane-2,4-dione
TL;DR: 3-[(4-Chlorophenyl)thio]pentane-2,4-dione (CAS 132787-93-0) is a chemical compound with molecular formula C11H11ClO2S and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)sulfanylpentane-2,4-dione
Also Known As: 3-[(4-chlorophenyl)thio]pentane-2,4-dione, Maybridge1_008944, 3-(4-chlorophenyl)sulfanylpentane-2,4-dione, 3-(4-chloro-phenylsulfanyl)-pentane-2,4-dione, 2,4-Pentanedione,3-[(4-chlorophenyl)thio]-
| Molecular Formula | C11H11ClO2S |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.01683 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 132787-93-0 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)SC1=CC=C(C=C1)Cl |
| InChIKey | GJLNLPQGSJDWOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(4-Chlorophenyl)thio]pentane-2,4-dione (CAS 132787-93-0), with molecular formula C11H11ClO2S and molecular weight 242.02 g/mol. IUPAC: 3-(4-chlorophenyl)sulfanylpentane-2,4-dione.
Chemical Property Profile of 3-[(4-Chlorophenyl)thio]pentane-2,4-dione
Property Insights of 3-[(4-Chlorophenyl)thio]pentane-2,4-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Chlorophenyl)thio]pentane-2,4-dione. With a topological polar surface area (TPSA) of 59.4 Ų, 3-[(4-Chlorophenyl)thio]pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Chlorophenyl)thio]pentane-2,4-dione 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 3-[(4-Chlorophenyl)thio]pentane-2,4-dione?
The CAS number of 3-[(4-Chlorophenyl)thio]pentane-2,4-dione is 132787-93-0.
What is the molecular formula of 3-[(4-Chlorophenyl)thio]pentane-2,4-dione?
The molecular formula of 3-[(4-Chlorophenyl)thio]pentane-2,4-dione is C11H11ClO2S.
What is the molecular weight of 3-[(4-Chlorophenyl)thio]pentane-2,4-dione?
The molecular weight of 3-[(4-Chlorophenyl)thio]pentane-2,4-dione is 242.02 g/mol.
Where can I buy 3-[(4-Chlorophenyl)thio]pentane-2,4-dione?
You can request a quote for 3-[(4-Chlorophenyl)thio]pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Chlorophenyl)thio]pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chlorophenyl)thio]pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.