3-(1-Methyl-2-oxocyclohexyl)propanoic acid
TL;DR: 3-(1-Methyl-2-oxocyclohexyl)propanoic acid (CAS 58625-69-7) is a chemical compound with molecular formula C10H16O3 and molecular weight 184.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methyl-2-oxocyclohexyl)propanoic acid
Also Known As: 3-(1-methyl-2-oxocyclohexyl)propanoic acid, 3-(1-methyl-2-oxo-cyclohexyl)propanoic acid, 1-Methyl-2-oxocyclohexane-1-propionic acid, 4a-methyl-3,4,4a,5,6,7-hexahydro-2(1H)-quinolinone
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 58625-69-7 |
|---|---|
| SMILES | CC1(CCCCC1=O)CCC(=O)O |
| InChIKey | RZKZENSUUJRSKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1-Methyl-2-oxocyclohexyl)propanoic acid (CAS 58625-69-7), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: 3-(1-methyl-2-oxocyclohexyl)propanoic acid.
Chemical Property Profile of 3-(1-Methyl-2-oxocyclohexyl)propanoic acid
Property Insights of 3-(1-Methyl-2-oxocyclohexyl)propanoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Methyl-2-oxocyclohexyl)propanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(1-Methyl-2-oxocyclohexyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Methyl-2-oxocyclohexyl)propanoic 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-Methyl-2-oxocyclohexyl)propanoic acid?
The CAS number of 3-(1-Methyl-2-oxocyclohexyl)propanoic acid is 58625-69-7.
What is the molecular formula of 3-(1-Methyl-2-oxocyclohexyl)propanoic acid?
The molecular formula of 3-(1-Methyl-2-oxocyclohexyl)propanoic acid is C10H16O3.
What is the molecular weight of 3-(1-Methyl-2-oxocyclohexyl)propanoic acid?
The molecular weight of 3-(1-Methyl-2-oxocyclohexyl)propanoic acid is 184.11 g/mol.
Where can I buy 3-(1-Methyl-2-oxocyclohexyl)propanoic acid?
You can request a quote for 3-(1-Methyl-2-oxocyclohexyl)propanoic 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-Methyl-2-oxocyclohexyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Methyl-2-oxocyclohexyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.