1,5-Dicarbomethoxy quadricyclane
TL;DR: 1,5-Dicarbomethoxy quadricyclane (CAS 714-53-4) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl tetracyclo[3.2.0.02,7.04,6]heptane-1,5-dicarboxylate
Also Known As: 1,5-Dicarbomethoxy quadricyclane, J1.038.533D, 1,5-dimethyl tetracyclo[3.2.0.02,7.04,6]heptane-1,5-dicarboxylate, Dimethyl tetracyclo[3.2.0.0~2,7~.0~4,6~]heptane-1,5-dicarboxylate, Tetracyclo[2.2.1.02,6.03,5]heptane-2,3-dicarboxylic acid dimethyl ester
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 714-53-4 |
|---|---|
| SMILES | COC(=O)C12C3C1C4C2(C4C3)C(=O)OC |
| InChIKey | JEAAFLQGDKNDNL-UHFFFAOYSA-N |
Product Overview
1,5-Dicarbomethoxy quadricyclane (CAS 714-53-4), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: dimethyl tetracyclo[3.2.0.02,7.04,6]heptane-1,5-dicarboxylate.
Chemical Property Profile of 1,5-Dicarbomethoxy quadricyclane
Property Insights of 1,5-Dicarbomethoxy quadricyclane
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dicarbomethoxy quadricyclane. With a topological polar surface area (TPSA) of 52.6 Ų, 1,5-Dicarbomethoxy quadricyclane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dicarbomethoxy quadricyclane 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 1,5-Dicarbomethoxy quadricyclane?
The CAS number of 1,5-Dicarbomethoxy quadricyclane is 714-53-4.
What is the molecular formula of 1,5-Dicarbomethoxy quadricyclane?
The molecular formula of 1,5-Dicarbomethoxy quadricyclane is C11H12O4.
What is the molecular weight of 1,5-Dicarbomethoxy quadricyclane?
The molecular weight of 1,5-Dicarbomethoxy quadricyclane is 208.07 g/mol.
Where can I buy 1,5-Dicarbomethoxy quadricyclane?
You can request a quote for 1,5-Dicarbomethoxy quadricyclane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dicarbomethoxy quadricyclane?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dicarbomethoxy quadricyclane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.