1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester
TL;DR: 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester (CAS 1322-94-7) is a chemical compound with molecular formula C16H20O4 and molecular weight 276.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,4-dimethylcyclohexyl)oxycarbonylbenzoic acid
Also Known As: dimethylcyclohexyl phthalate, (Dimethylcyclohexyl) hydrogen phthalate, 1,2-Benzenedicarboxylic acid, mono(dimethylcyclohexyl) ester, 2-(4,4-dimethylcyclohexyl)oxycarbonylbenzoic acid, Dimethylcyclohexyl) hydrogen phthalate
| Molecular Formula | C16H20O4 |
|---|---|
| Molecular Weight | 276.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.13617 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 1322-94-7 |
|---|---|
| SMILES | CC1(CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)O)C |
| InChIKey | GPIZVEQCOQOIPD-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester (CAS 1322-94-7), with molecular formula C16H20O4 and molecular weight 276.14 g/mol. IUPAC: 2-(4,4-dimethylcyclohexyl)oxycarbonylbenzoic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester
Property Insights of 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester
The XLogP value of 3.6 indicates that 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester has 1 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 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester is 1322-94-7.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester is C16H20O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester is 276.14 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1-(dimethylcyclohexyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.