2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-
TL;DR: 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)- (CAS 57982-85-1) is a chemical compound with molecular formula C12H10Cl2O2 and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methylidene]pentane-2,4-dione
Also Known As: 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-, 3-(3,4-Dichlorobenzylidene)-2,4-pentanedione, 3-(3,4-dichlorobenzylidene)pentane-2,4-dione, 3-[(3,4-dichlorophenyl)methylidene]pentane-2,4-dione, 2, 3-[(3,4-dichlorophenyl)methylene]-
| Molecular Formula | C12H10Cl2O2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.0058 |
| Heavy Atoms | 16 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 57982-85-1 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC(=C(C=C1)Cl)Cl)C(=O)C |
| InChIKey | JUAFEEYZHUVDBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)- (CAS 57982-85-1), with molecular formula C12H10Cl2O2 and molecular weight 256.01 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methylidene]pentane-2,4-dione.
Chemical Property Profile of 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-
Property Insights of 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-. With a topological polar surface area (TPSA) of 34.1 Ų, 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)- 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 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-?
The CAS number of 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)- is 57982-85-1.
What is the molecular formula of 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-?
The molecular formula of 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)- is C12H10Cl2O2.
What is the molecular weight of 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-?
The molecular weight of 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)- is 256.01 g/mol.
Where can I buy 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-?
You can request a quote for 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentanedione, 3-(3,4-dichlorobenzylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.