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Methyl bicyclo[2.2.2]octane-1-carboxylate
TL;DR: Methyl bicyclo[2.2.2]octane-1-carboxylate (CAS 31818-12-9) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl bicyclo[2.2.2]octane-1-carboxylate
Also Known As: Methyl bicyclo[2.2.2]octane-1-carboxylate, ethyl bicyclo[2.2.2]octane-1-carboxylate, Methylbicyclo[2.2.2]octane-1-carboxylate, methyl bicyclo[2.2.2]octane-4-carboxylate, Bicyclo[2.2.2]octan-1-carboxylic acid, methyl ester
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 31818-12-9 |
|---|---|
| SMILES | COC(=O)C12CCC(CC1)CC2 |
| InChIKey | ZZQHNCFQLQSTAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl bicyclo[2.2.2]octane-1-carboxylate (CAS 31818-12-9), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: methyl bicyclo[2.2.2]octane-1-carboxylate.
Chemical Property Profile of Methyl bicyclo[2.2.2]octane-1-carboxylate
Property Insights of Methyl bicyclo[2.2.2]octane-1-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl bicyclo[2.2.2]octane-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl bicyclo[2.2.2]octane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl bicyclo[2.2.2]octane-1-carboxylate has 0 hydrogen bond donor(s) and 2 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 Methyl bicyclo[2.2.2]octane-1-carboxylate?
The CAS number of Methyl bicyclo[2.2.2]octane-1-carboxylate is 31818-12-9.
What is the molecular formula of Methyl bicyclo[2.2.2]octane-1-carboxylate?
The molecular formula of Methyl bicyclo[2.2.2]octane-1-carboxylate is C10H16O2.
What is the molecular weight of Methyl bicyclo[2.2.2]octane-1-carboxylate?
The molecular weight of Methyl bicyclo[2.2.2]octane-1-carboxylate is 168.12 g/mol.
Where can I buy Methyl bicyclo[2.2.2]octane-1-carboxylate?
You can request a quote for Methyl bicyclo[2.2.2]octane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl bicyclo[2.2.2]octane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl bicyclo[2.2.2]octane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.