1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)-
TL;DR: 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)- (CAS 42607-64-7) is a chemical compound with molecular formula C13H16 and molecular weight 172.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-11-methylidenepentacyclo[5.4.0.02,6.03,10.05,9]undecane
Also Known As: 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)-, 5-Methyl-7-methylideneoctahydro-1H-2,4,1-(ethane[1,1,2]triyl)cyclobuta[cd]pentalene, 1,2,4-Ethanylylidene-1H-cyclobuta[cd]pentalene,octahydro-5-methyl-7-methylene,(1.alpha.,1a.beta.,2.alpha.,3a.beta.,4.alpha.,5.alpha.,5a.beta.,5b.beta.)-
| Molecular Formula | C13H16 |
|---|---|
| Molecular Weight | 172.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.1252 |
| Heavy Atoms | 13 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 42607-64-7 |
|---|---|
| SMILES | CC1C2C3CC4C2C(=C)C5C1C3C45 |
| InChIKey | REFUZKMRSXPUBN-UHFFFAOYSA-N |
Product Overview
1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)- (CAS 42607-64-7), with molecular formula C13H16 and molecular weight 172.13 g/mol. IUPAC: 8-methyl-11-methylidenepentacyclo[5.4.0.02,6.03,10.05,9]undecane.
Chemical Property Profile of 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)-
Property Insights of 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)-. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)- has 0 hydrogen bond donor(s) and 0 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 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)-?
The CAS number of 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)- is 42607-64-7.
What is the molecular formula of 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)-?
The molecular formula of 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)- is C13H16.
What is the molecular weight of 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)-?
The molecular weight of 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)- is 172.13 g/mol.
Where can I buy 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)-?
You can request a quote for 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Ethanylylidene-1H-cyclobuta(cd)pentalene, octahydro-5-methyl-7-methylene,(1alpha,1abeta,2alpha,3abeta,4alpha,5alpha,5abeta,5bbeta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.