3-(3-Phenyl-allylidene)-pentane-2,4-dione
TL;DR: 3-(3-Phenyl-allylidene)-pentane-2,4-dione (CAS 87497-30-1) is a chemical compound with molecular formula C14H14O2 and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cinnamylidenepentane-2,4-dione
Also Known As: 3-cinnamylidenepentane-2,4-dione, 3-(3-phenyl-allylidene)-pentane-2,4-dione, 3-(3-phenyl-2-propenylidene)-2,4-pentanedione
| Molecular Formula | C14H14O2 |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.09938 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 87497-30-1 |
|---|---|
| SMILES | CC(=O)C(=CC=CC1=CC=CC=C1)C(=O)C |
| InChIKey | MNVJZMVQXQFONB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-Phenyl-allylidene)-pentane-2,4-dione (CAS 87497-30-1), with molecular formula C14H14O2 and molecular weight 214.10 g/mol. IUPAC: 3-cinnamylidenepentane-2,4-dione.
Chemical Property Profile of 3-(3-Phenyl-allylidene)-pentane-2,4-dione
Property Insights of 3-(3-Phenyl-allylidene)-pentane-2,4-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Phenyl-allylidene)-pentane-2,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 3-(3-Phenyl-allylidene)-pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Phenyl-allylidene)-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-Phenyl-allylidene)-pentane-2,4-dione?
The CAS number of 3-(3-Phenyl-allylidene)-pentane-2,4-dione is 87497-30-1.
What is the molecular formula of 3-(3-Phenyl-allylidene)-pentane-2,4-dione?
The molecular formula of 3-(3-Phenyl-allylidene)-pentane-2,4-dione is C14H14O2.
What is the molecular weight of 3-(3-Phenyl-allylidene)-pentane-2,4-dione?
The molecular weight of 3-(3-Phenyl-allylidene)-pentane-2,4-dione is 214.10 g/mol.
Where can I buy 3-(3-Phenyl-allylidene)-pentane-2,4-dione?
You can request a quote for 3-(3-Phenyl-allylidene)-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-Phenyl-allylidene)-pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Phenyl-allylidene)-pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.