![1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate structure](/static/products/1459/1459-96-7.webp)
1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
TL;DR: 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate (CAS 1459-96-7) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
Also Known As: dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate, null, 1,4-dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate, 7226AA, 1,4-dicarbomethoxybicyclo[2.2.2]octane
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.673 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 264.4511 |
Chemical Identifiers
| CAS Number | 1459-96-7 |
|---|---|
| SMILES | COC(=O)C12CCC(CC1)(CC2)C(=O)OC |
Product Overview
1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate (CAS 1459-96-7), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate.
Chemical Property Profile of 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
Property Insights of 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate
The XLogP value of 1.673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate has 0 hydrogen bond donor(s) and 4 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 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate?
The CAS number of 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate is 1459-96-7.
What is the molecular formula of 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate?
The molecular formula of 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate is C12H18O4.
What is the molecular weight of 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate?
The molecular weight of 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate is 226.12 g/mol.
Where can I buy 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate?
You can request a quote for 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.