Curcumenone
TL;DR: Curcumenone (CAS 100347-96-4) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,6R,7R)-1-methyl-7-(3-oxobutyl)-4-propan-2-ylidenebicyclo[4.1.0]heptan-3-one
Also Known As: Curcumenone, FR 900462, (1S,6beta)-1beta-Methyl-4-(1-methylethylidene)-7beta-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one, (1S,6R,7R)-1-Methyl-7-(3-oxobutyl)-4-(propan-2-ylidene)bicyclo[4.1.0]heptan-3-one, Bicyclo(4.1.0)heptan-3-one, 1-methyl-4-(1-methylethylidene)-7-(3-oxobutyl)-, (1S,6R,7R)-
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 100347-96-4 |
|---|---|
| SMILES | CC(=C1C[C@@H]2[C@H]([C@@]2(CC1=O)C)CCC(=O)C)C |
| InChIKey | HUZJLWLCLJEXEL-NFAWXSAZSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Curcumenone (CAS 100347-96-4), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (1S,6R,7R)-1-methyl-7-(3-oxobutyl)-4-propan-2-ylidenebicyclo[4.1.0]heptan-3-one.
Chemical Property Profile of Curcumenone
Property Insights of Curcumenone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Curcumenone. With a topological polar surface area (TPSA) of 34.1 Ų, Curcumenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Curcumenone 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 Curcumenone?
The CAS number of Curcumenone is 100347-96-4.
What is the molecular formula of Curcumenone?
The molecular formula of Curcumenone is C15H22O2.
What is the molecular weight of Curcumenone?
The molecular weight of Curcumenone is 234.16 g/mol.
Where can I buy Curcumenone?
You can request a quote for Curcumenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Curcumenone?
Yes, KEHONG BIO provides custom synthesis services for Curcumenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.