3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid
TL;DR: 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid (CAS 7647-46-3) 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-(1,3,3-trimethyl-2-oxocyclohexyl)propanoic acid
Also Known As: 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propanoic acid, J1.402.055A, 1,3,3-Trimethyl-2-oxocyclohexanepropionic acid, 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid, 3-(1,3,3-Trimethyl-2-oxo-cyclohexyl)-propionsaeure
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 7647-46-3 |
|---|---|
| SMILES | CC1(CCCC(C1=O)(C)CCC(=O)O)C |
| InChIKey | POPXOCJIEWEAFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid (CAS 7647-46-3), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: 3-(1,3,3-trimethyl-2-oxocyclohexyl)propanoic acid.
Chemical Property Profile of 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid
Property Insights of 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid has 1 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-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid?
The CAS number of 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid is 7647-46-3.
What is the molecular formula of 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid?
The molecular formula of 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid is C12H20O3.
What is the molecular weight of 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid?
The molecular weight of 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid is 212.14 g/mol.
Where can I buy 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid?
You can request a quote for 3-(1,3,3-Trimethyl-2-oxocyclohexyl)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-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3,3-Trimethyl-2-oxocyclohexyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.