Diethyl 2-methylcyclohexane-1,1-dicarboxylate
TL;DR: Diethyl 2-methylcyclohexane-1,1-dicarboxylate (CAS 5256-28-0) is a chemical compound with molecular formula C13H22O4 and molecular weight 242.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methylcyclohexane-1,1-dicarboxylate
Also Known As: diethyl 2-methylcyclohexane-1,1-dicarboxylate
| Molecular Formula | C13H22O4 |
|---|---|
| Molecular Weight | 242.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.15181 |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 5256-28-0 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCC1C)C(=O)OCC |
| InChIKey | MGCXPTONXMVEMP-UHFFFAOYSA-N |
Product Overview
Diethyl 2-methylcyclohexane-1,1-dicarboxylate (CAS 5256-28-0), with molecular formula C13H22O4 and molecular weight 242.15 g/mol. IUPAC: diethyl 2-methylcyclohexane-1,1-dicarboxylate.
Chemical Property Profile of Diethyl 2-methylcyclohexane-1,1-dicarboxylate
Property Insights of Diethyl 2-methylcyclohexane-1,1-dicarboxylate
The XLogP value of 3.3 indicates that Diethyl 2-methylcyclohexane-1,1-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-methylcyclohexane-1,1-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-methylcyclohexane-1,1-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 Diethyl 2-methylcyclohexane-1,1-dicarboxylate?
The CAS number of Diethyl 2-methylcyclohexane-1,1-dicarboxylate is 5256-28-0.
What is the molecular formula of Diethyl 2-methylcyclohexane-1,1-dicarboxylate?
The molecular formula of Diethyl 2-methylcyclohexane-1,1-dicarboxylate is C13H22O4.
What is the molecular weight of Diethyl 2-methylcyclohexane-1,1-dicarboxylate?
The molecular weight of Diethyl 2-methylcyclohexane-1,1-dicarboxylate is 242.15 g/mol.
Where can I buy Diethyl 2-methylcyclohexane-1,1-dicarboxylate?
You can request a quote for Diethyl 2-methylcyclohexane-1,1-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-methylcyclohexane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-methylcyclohexane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.