11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one
TL;DR: 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one (CAS 91632-94-9) is a chemical compound with molecular formula C12H12O and molecular weight 172.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methylidenepentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
Also Known As: 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one, 11-Methylene pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one, 11-Methylene pentacyclo[5.4.0.02,6.03,10.0<5,9]undecan-8-one, 11-methylidenepentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one, 5-methylideneoctahydro-1H-2,4,1-(ethane[1,1,2]triyl)cyclobuta[cd]pentalen-7-one
| Molecular Formula | C12H12O |
|---|---|
| Molecular Weight | 172.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.08882 |
| Heavy Atoms | 13 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 91632-94-9 |
|---|---|
| SMILES | C=C1C2C3CC4C2C(=O)C5C4C3C51 |
| InChIKey | BBGVKJYPHBWVFH-UHFFFAOYSA-N |
Product Overview
11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one (CAS 91632-94-9), with molecular formula C12H12O and molecular weight 172.09 g/mol. IUPAC: 11-methylidenepentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one.
Chemical Property Profile of 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one
Property Insights of 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one. With a topological polar surface area (TPSA) of 17.1 Ų, 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one 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 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one?
The CAS number of 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one is 91632-94-9.
What is the molecular formula of 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one?
The molecular formula of 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one is C12H12O.
What is the molecular weight of 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one?
The molecular weight of 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one is 172.09 g/mol.
Where can I buy 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one?
You can request a quote for 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one?
Yes, KEHONG BIO provides custom synthesis services for 11-Methylene pentacyclo(5.4.0.02,6.03,10.05,9)undecan-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.