![Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)- structure](/static/products/5252/52528-32-2.webp)
Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)-
TL;DR: Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)- (CAS 52528-32-2) is a chemical compound with molecular formula C16H18O and molecular weight 226.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylidene-6,6-dimethylbicyclo[3.1.1]heptan-2-one
Also Known As: NCI60_005926, 3-benzylidene-6,6-dimethylbicyclo[3.1.1]heptan-4-one, Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)-, 3-benzylidene-6,6-dimethylbicyclo[3.1.1]heptan-2-one, Bicyclo[3.1.1]heptan-2-one,6,6-dimethyl-3-(phenylmethylene)
| Molecular Formula | C16H18O |
|---|---|
| Molecular Weight | 226.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.13577 |
| Heavy Atoms | 17 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 52528-32-2 |
|---|---|
| SMILES | CC1(C2CC1C(=O)C(=CC3=CC=CC=C3)C2)C |
| InChIKey | NKWTXASMNZHMLU-UHFFFAOYSA-N |
Product Overview
Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)- (CAS 52528-32-2), with molecular formula C16H18O and molecular weight 226.14 g/mol. IUPAC: 3-benzylidene-6,6-dimethylbicyclo[3.1.1]heptan-2-one.
Chemical Property Profile of Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)-
Property Insights of Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)-
The XLogP value of 3.7 indicates that Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)- 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 Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)-?
The CAS number of Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)- is 52528-32-2.
What is the molecular formula of Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)-?
The molecular formula of Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)- is C16H18O.
What is the molecular weight of Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)-?
The molecular weight of Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)- is 226.14 g/mol.
Where can I buy Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)-?
You can request a quote for Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-3-(phenylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.