3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-
TL;DR: 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)- (CAS 2226-11-1) is a chemical compound with molecular formula C14H20O and molecular weight 204.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)pent-3-en-2-one
Also Known As: Bornelone, Bornelonum, Bornelona, UV Absorber-4, Bornelone [USAN:INN]
| Molecular Formula | C14H20O |
|---|---|
| Molecular Weight | 204.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.15141 |
| Heavy Atoms | 15 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 2226-11-1 |
|---|---|
| SMILES | CC(=O)C=CC=C1C2CCC(C2)C1(C)C |
| InChIKey | WDMFHQNUSVLQMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)- (CAS 2226-11-1), with molecular formula C14H20O and molecular weight 204.15 g/mol. IUPAC: 5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)pent-3-en-2-one.
Chemical Property Profile of 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-
Property Insights of 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-
The XLogP value of 3.3 indicates that 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)- has 0 hydrogen bond donor(s) and 1 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-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-?
The CAS number of 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)- is 2226-11-1.
What is the molecular formula of 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-?
The molecular formula of 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)- is C14H20O.
What is the molecular weight of 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-?
The molecular weight of 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)- is 204.15 g/mol.
Where can I buy 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-?
You can request a quote for 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Penten-2-one, 5-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.