![3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione structure](/static/products/1572/15725-15-2.webp)
3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione
TL;DR: 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione (CAS 15725-15-2) is a chemical compound with molecular formula C12H11ClO2 and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chlorophenyl)methylidene]pentane-2,4-dione
Also Known As: 3-(3-Chlorobenzylidene)-2,4-pentanedione, 3-[(3-chlorophenyl)methylidene]pentane-2,4-dione, 3'-chloro-3-benzylidene-2,4-pentanedione, 3-<3-Chlor-benzyliden>-pentan-2,4-dion, J1.606.680J
| Molecular Formula | C12H11ClO2 |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.04475 |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 15725-15-2 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC(=CC=C1)Cl)C(=O)C |
| InChIKey | MXUHWQIVJPLIGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione (CAS 15725-15-2), with molecular formula C12H11ClO2 and molecular weight 222.04 g/mol. IUPAC: 3-[(3-chlorophenyl)methylidene]pentane-2,4-dione.
Chemical Property Profile of 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione
Property Insights of 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione has 0 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 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione?
The CAS number of 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione is 15725-15-2.
What is the molecular formula of 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione?
The molecular formula of 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione is C12H11ClO2.
What is the molecular weight of 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione?
The molecular weight of 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione is 222.04 g/mol.
Where can I buy 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione?
You can request a quote for 3-[(3-Chlorophenyl)methylidene]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-[(3-Chlorophenyl)methylidene]pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Chlorophenyl)methylidene]pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.