Cyclohexanepropanoic acid, 2-oxo-, methyl ester
TL;DR: Cyclohexanepropanoic acid, 2-oxo-, methyl ester (CAS 10407-33-7) 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.
methyl 3-(2-oxocyclohexyl)propanoate
Also Known As: Methyl 3-(2-oxocyclohexyl)propanoate, Methyl 2-oxocyclohexanepropionate, Cyclohexanepropanoic acid, 2-oxo-, methyl ester, Methyl 2-oxocyclohexanepropanoate, Methyl 3-(2-oxocyclohexyl)propionate
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 10407-33-7 |
|---|---|
| SMILES | COC(=O)CCC1CCCCC1=O |
| InChIKey | NYUXNQYPEPSSAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanepropanoic acid, 2-oxo-, methyl ester (CAS 10407-33-7), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: methyl 3-(2-oxocyclohexyl)propanoate.
Chemical Property Profile of Cyclohexanepropanoic acid, 2-oxo-, methyl ester
Property Insights of Cyclohexanepropanoic acid, 2-oxo-, methyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanepropanoic acid, 2-oxo-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Cyclohexanepropanoic acid, 2-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanepropanoic acid, 2-oxo-, methyl ester has 0 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 Cyclohexanepropanoic acid, 2-oxo-, methyl ester?
The CAS number of Cyclohexanepropanoic acid, 2-oxo-, methyl ester is 10407-33-7.
What is the molecular formula of Cyclohexanepropanoic acid, 2-oxo-, methyl ester?
The molecular formula of Cyclohexanepropanoic acid, 2-oxo-, methyl ester is C10H16O3.
What is the molecular weight of Cyclohexanepropanoic acid, 2-oxo-, methyl ester?
The molecular weight of Cyclohexanepropanoic acid, 2-oxo-, methyl ester is 184.11 g/mol.
Where can I buy Cyclohexanepropanoic acid, 2-oxo-, methyl ester?
You can request a quote for Cyclohexanepropanoic acid, 2-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanepropanoic acid, 2-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanepropanoic acid, 2-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.