2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid
TL;DR: 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid (CAS 5148-05-0) 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.
2-[1-(carboxymethyl)-4,4-dimethylcyclohexyl]acetic acid
Also Known As: 2,2'-(4,4-dimethylcyclohexane-1,1-diyl)diacetic acid, (4,4-dimethyl-cyclohexylidene)-di-acetic acid, 2-[1-(carboxymethyl)-4,4-dimethylcyclohexyl]acetic acid, (1-Carboxy-4,4-dimethyl-cyclohexyl)-essigsaeure-anhydrid
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 5148-05-0 |
|---|---|
| SMILES | CC1(CCC(CC1)(CC(=O)O)CC(=O)O)C |
| InChIKey | AYBICQCXGRPBLK-UHFFFAOYSA-N |
Product Overview
2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid (CAS 5148-05-0), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: 2-[1-(carboxymethyl)-4,4-dimethylcyclohexyl]acetic acid.
Chemical Property Profile of 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid
Property Insights of 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid. Following Lipinski's Rule of Five, 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid has 2 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 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid?
The CAS number of 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid is 5148-05-0.
What is the molecular formula of 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid?
The molecular formula of 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid is C12H20O4.
What is the molecular weight of 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid?
The molecular weight of 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid is 228.14 g/mol.
Where can I buy 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid?
You can request a quote for 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(4,4-Dimethylcyclohexane-1,1-diyl)diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.