4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol
TL;DR: 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol (CAS 68071-05-6) is a chemical compound with molecular formula C13H20O5 and molecular weight 256.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-hydroxy-2,2-dimethylpropoxy)carbonylcyclohex-3-ene-1-carboxylic acid
Also Known As: 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol, 6-[(3-hydroxy-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylic acid, 6-(3-hydroxy-2,2-dimethylpropoxy)carbonylcyclohex-3-ene-1-carboxylic acid, 6-((3-hydroxy-2,2-dimethylpropoxy)carbonyl)cyclohex-3-ene-1-carboxylic acid, RefChem:98665
| Molecular Formula | C13H20O5 |
|---|---|
| Molecular Weight | 256.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.13107 |
| Heavy Atoms | 18 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 68071-05-6 |
|---|---|
| SMILES | CC(C)(CO)COC(=O)C1CC=CCC1C(=O)O |
| InChIKey | KCUGXVQRQBKXBO-UHFFFAOYSA-N |
Product Overview
4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol (CAS 68071-05-6), with molecular formula C13H20O5 and molecular weight 256.13 g/mol. IUPAC: 6-(3-hydroxy-2,2-dimethylpropoxy)carbonylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol
Property Insights of 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol. Following Lipinski's Rule of Five, 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol has 2 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 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol?
The CAS number of 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol is 68071-05-6.
What is the molecular formula of 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol?
The molecular formula of 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol is C13H20O5.
What is the molecular weight of 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol?
The molecular weight of 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol is 256.13 g/mol.
Where can I buy 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol?
You can request a quote for 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclohexene-1,2-dicarboxylic acid, ester with 2,2-dimethyl-1,3-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.