6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
TL;DR: 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid (CAS 477862-70-7) is a chemical compound with molecular formula C15H22O6 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-bis(ethoxycarbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Also Known As: 6,6-bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid, 6,6-bis(ethoxycarbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid, 12P-111, 6,6-bis(ethoxycarbonyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylic Acid, 6,6-bis(ethoxycarbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylicacid
| Molecular Formula | C15H22O6 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 1.93 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.14163 |
| Heavy Atoms | 21 |
| Complexity | 458.5555 |
Chemical Identifiers
| CAS Number | 477862-70-7 |
|---|---|
| SMILES | CCOC(=O)C1(CC(=C(CC1C(=O)O)C)C)C(=O)OCC |
Product Overview
6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid (CAS 477862-70-7), with molecular formula C15H22O6 and molecular weight 298.14 g/mol. IUPAC: 6,6-bis(ethoxycarbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
Property Insights of 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
The XLogP value of 1.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid. Following Lipinski's Rule of Five, 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid has 1 hydrogen bond donor(s) and 5 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 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid?
The CAS number of 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid is 477862-70-7.
What is the molecular formula of 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid?
The molecular formula of 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid is C15H22O6.
What is the molecular weight of 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid?
The molecular weight of 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid is 298.14 g/mol.
Where can I buy 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid?
You can request a quote for 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Bis(ethoxycarbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.