1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester
TL;DR: 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester (CAS 70969-58-3) is a chemical compound with molecular formula C16H28O4 and molecular weight 284.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate
Also Known As: diisobutyl cyclohexane-1,2-dicarboxylate, Diisobutyl hexahydrophthalate, 1,2-Cyclohexanedicarboxylic acid, diisobutyl ester, 2-(Piperidin-4-yloxy)-pyrimidine, bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate
| Molecular Formula | C16H28O4 |
|---|---|
| Molecular Weight | 284.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 284.19876 |
| Heavy Atoms | 20 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 70969-58-3 |
|---|---|
| SMILES | CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C |
| InChIKey | QUKHPBOCBWDYMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester (CAS 70969-58-3), with molecular formula C16H28O4 and molecular weight 284.20 g/mol. IUPAC: bis(2-methylpropyl) cyclohexane-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester
Property Insights of 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester
The XLogP value of 4.2 indicates that 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) 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-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester 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 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester?
The CAS number of 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester is 70969-58-3.
What is the molecular formula of 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester?
The molecular formula of 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester is C16H28O4.
What is the molecular weight of 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester?
The molecular weight of 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester is 284.20 g/mol.
Where can I buy 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester?
You can request a quote for 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) 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-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.