dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate
TL;DR: dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate (CAS 6096-53-3) 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 (1R,2R)-4,5-dimethylcyclohex-4-ene-1,2-dicarboxylate
Also Known As: Bionet2_001111, 1,2-dimethyl (1R,2R)-4,5-dimethylcyclohex-4-ene-1,2-dicarboxylate, dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate, dimethyl (1R,2R)-4,5-dimethylcyclohex-4-ene-1,2-dicarboxylate, trans-dimethyl 1,2-dimethylcyclohex-1-ene-4,5-dicarboxylate
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.695 |
| 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 | 297.91046 |
Chemical Identifiers
| CAS Number | 6096-53-3 |
|---|---|
| SMILES | CC1=C(C[C@H]([C@@H](C1)C(=O)OC)C(=O)OC)C |
Product Overview
dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate (CAS 6096-53-3), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: dimethyl (1R,2R)-4,5-dimethylcyclohex-4-ene-1,2-dicarboxylate.
Chemical Property Profile of dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate
Property Insights of dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate
The XLogP value of 1.695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-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 (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate?
The CAS number of dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate is 6096-53-3.
What is the molecular formula of dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate?
The molecular formula of dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate is C12H18O4.
What is the molecular weight of dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate?
The molecular weight of dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate is 226.12 g/mol.
Where can I buy dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate?
You can request a quote for dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-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 (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (1R,2R)-4,5-dimethyl-4-cyclohexene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.