5-Tert-butyl-1,3-cyclohexanedicarboxylic acid
TL;DR: 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid (CAS 22157-92-2) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butylcyclohexane-1,3-dicarboxylic acid
Also Known As: 5-tert-butyl-1,3-cyclohexanedicarboxylic acid, 5-tert-butylcyclohexane-1,3-dicarboxylic acid, AE-562/12222766
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.2342 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 267.88412 |
Chemical Identifiers
| CAS Number | 22157-92-2 |
|---|---|
| SMILES | CC(C)(C)C1CC(CC(C1)C(=O)O)C(=O)O |
Product Overview
5-Tert-butyl-1,3-cyclohexanedicarboxylic acid (CAS 22157-92-2), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: 5-tert-butylcyclohexane-1,3-dicarboxylic acid.
Chemical Property Profile of 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid
Property Insights of 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid
The XLogP value of 2.2342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid. Following Lipinski's Rule of Five, 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid has 2 hydrogen bond donor(s) and 2 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 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid?
The CAS number of 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid is 22157-92-2.
What is the molecular formula of 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid?
The molecular formula of 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid is C12H20O4.
What is the molecular weight of 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid?
The molecular weight of 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid is 228.14 g/mol.
Where can I buy 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid?
You can request a quote for 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-butyl-1,3-cyclohexanedicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.