3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid
TL;DR: 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid (CAS 85426-40-0) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3-(2,2,4-trimethylcyclohex-3-en-1-yl)propanoic acid
Also Known As: 3-hydroxy-3-(2,2,4-trimethyl-3-cyclohexenyl)propionic acid, 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid, 3-hydroxy-3-(2,2,4-trimethylcyclohex-3-en-1-yl)propanoic acid, 3-Hydroxy-3-(2,2,4-trimethyl-3-cyclohexen-1-yl)propanoic acid #
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 85426-40-0 |
|---|---|
| SMILES | CC1=CC(C(CC1)C(CC(=O)O)O)(C)C |
| InChIKey | BMCUDKLEKFRURO-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid (CAS 85426-40-0), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: 3-hydroxy-3-(2,2,4-trimethylcyclohex-3-en-1-yl)propanoic acid.
Chemical Property Profile of 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid
Property Insights of 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid has 2 hydrogen bond donor(s) and 3 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 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid?
The CAS number of 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid is 85426-40-0.
What is the molecular formula of 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid?
The molecular formula of 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid is C12H20O3.
What is the molecular weight of 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid?
The molecular weight of 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid is 212.14 g/mol.
Where can I buy 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid?
You can request a quote for 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-3-(2,2,4-trimethylcyclohex-3-enyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.