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Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene-
TL;DR: Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene- (CAS 440121-95-9) is a chemical compound with molecular formula C9H10O and molecular weight 134.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methylidenebicyclo[2.2.2]oct-5-en-2-one
Also Known As: Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene-, 8-methylidenebicyclo[2.2.2]oct-5-en-2-one, 5-Methylenebicyclo[2.2.2]octa-7-ene-2-one, J1.694.914K, 8-Methylenebicyclo[2.2.2]oct-5-en-2-one #
| Molecular Formula | C9H10O |
|---|---|
| Molecular Weight | 134.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.07317 |
| Heavy Atoms | 10 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 440121-95-9 |
|---|---|
| SMILES | C=C1CC2C=CC1CC2=O |
| InChIKey | LSRYRJCCJDFMQN-UHFFFAOYSA-N |
Product Overview
Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene- (CAS 440121-95-9), with molecular formula C9H10O and molecular weight 134.07 g/mol. IUPAC: 8-methylidenebicyclo[2.2.2]oct-5-en-2-one.
Chemical Property Profile of Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene-
Property Insights of Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene-. With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene- 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[2.2.2]oct-7-en-2-one, 5-methylene-?
The CAS number of Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene- is 440121-95-9.
What is the molecular formula of Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene-?
The molecular formula of Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene- is C9H10O.
What is the molecular weight of Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene-?
The molecular weight of Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene- is 134.07 g/mol.
Where can I buy Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene-?
You can request a quote for Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.2]oct-7-en-2-one, 5-methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.