![3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)- structure](/static/products/6268/6268-90-2.webp)
3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)-
TL;DR: 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)- (CAS 6268-90-2) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)but-3-en-2-one
Also Known As: 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)-, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)but-3-en-2-one, (E)-4-(2-methyl-3-bicyclo[2.2.1]hept-5-enyl)but-3-en-2-one, 3-Buten-2-one, 4-(3-methylbicyclo(2.2.1)hept-5-en-2-yl)-, 4-(2-methyl-3-bicyclo[2.2.1]hept-5-enyl)but-3-en-2-one
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 6268-90-2 |
|---|---|
| SMILES | CC1C2CC(C1C=CC(=O)C)C=C2 |
| InChIKey | YUGCMCNBXRSJKU-UHFFFAOYSA-N |
Product Overview
3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)- (CAS 6268-90-2), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 4-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)-
Property Insights of 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)-. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)- 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-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)-?
The CAS number of 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)- is 6268-90-2.
What is the molecular formula of 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)-?
The molecular formula of 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)- is C12H16O.
What is the molecular weight of 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)-?
The molecular weight of 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)- is 176.12 g/mol.
Where can I buy 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)-?
You can request a quote for 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(3-methylbicyclo[2.2.1]hept-5-en-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.