1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester (CAS 71486-48-1) is a chemical compound with molecular formula C22H32O4 and molecular weight 360.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-cyclohexyl 1-O-(6-methylheptyl) benzene-1,2-dicarboxylate
Also Known As: Cyclohexyl isooctyl phthalate, 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester, 1,2-Benzenedicarboxylic acid, cyclohexyl isooctyl ester, Cyclohexyl 6-methylheptyl benzene-1,2-dicarboxylate, Phthalic acid 1-cyclohexyl 2-(6-methylheptyl) ester
| Molecular Formula | C22H32O4 |
|---|---|
| Molecular Weight | 360.23 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 360.23007 |
| Heavy Atoms | 26 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 71486-48-1 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OC2CCCCC2 |
| InChIKey | PQDNDGYLGVVELW-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester (CAS 71486-48-1), with molecular formula C22H32O4 and molecular weight 360.23 g/mol. IUPAC: 2-O-cyclohexyl 1-O-(6-methylheptyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester
The XLogP value of 7.2 indicates that 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester is 71486-48-1.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester is C22H32O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester is 360.23 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl 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-cyclohexyl 2-isooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1-cyclohexyl 2-isooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.