Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate
TL;DR: Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate (CAS 64161-85-9) is a chemical compound with molecular formula C11H16O4 and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate
Also Known As: dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate, 3-methyl-cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester, 4-Cyclohexene-1,2-dicarboxylic acid, 3-methyl-, dimethyl ester
| Molecular Formula | C11H16O4 |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.10486 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 64161-85-9 |
|---|---|
| SMILES | CC1C=CCC(C1C(=O)OC)C(=O)OC |
| InChIKey | UDBQYTMLNSEJBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate (CAS 64161-85-9), with molecular formula C11H16O4 and molecular weight 212.10 g/mol. IUPAC: dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate
Property Insights of Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 3-methylcyclohex-4-ene-1,2-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 Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate?
The CAS number of Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate is 64161-85-9.
What is the molecular formula of Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate?
The molecular formula of Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate is C11H16O4.
What is the molecular weight of Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate?
The molecular weight of Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate is 212.10 g/mol.
Where can I buy Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate?
You can request a quote for Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-methylcyclohex-4-ene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.