Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester
TL;DR: Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester (CAS 20567-32-2) is a chemical compound with molecular formula C19H24O5 and molecular weight 332.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-1-(3-oxo-3-phenylmethoxypropyl)cyclohexane-1-carboxylate
Also Known As: ethyl 1-[3-(benzyloxy)-3-oxopropyl]-2-oxocyclohexanecarboxylate, ethyl 2-oxo-1-(3-oxo-3-phenylmethoxypropyl)cyclohexane-1-carboxylate, Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester, ethyl 2-oxo-1-(3-oxo-3-phenylmethoxypropyl)cyclohexane-1-car, ETHYL 1-[3-(BENZYLOXY)-3-OXOPROPYL]-2-OXOCYCLOHEXANE-1-CARBOXYLATE
| Molecular Formula | C19H24O5 |
|---|---|
| Molecular Weight | 332.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 332.16238 |
| Heavy Atoms | 24 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 20567-32-2 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCC1=O)CCC(=O)OCC2=CC=CC=C2 |
| InChIKey | LLERMKDPUNUTSP-UHFFFAOYSA-N |
Product Overview
Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester (CAS 20567-32-2), with molecular formula C19H24O5 and molecular weight 332.16 g/mol. IUPAC: ethyl 2-oxo-1-(3-oxo-3-phenylmethoxypropyl)cyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester
Property Insights of Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester. Following Lipinski's Rule of Five, Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester has 0 hydrogen bond donor(s) and 5 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 Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester?
The CAS number of Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester is 20567-32-2.
What is the molecular formula of Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester?
The molecular formula of Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester is C19H24O5.
What is the molecular weight of Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester?
The molecular weight of Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester is 332.16 g/mol.
Where can I buy Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester?
You can request a quote for Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanepropanoicacid, 1-(ethoxycarbonyl)-2-oxo-, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.