乙酸环己基甲酯
TL;DR: 乙酸环己基甲酯 (CAS 937-55-3) is a chemical compound with molecular formula C13H20O5 and molecular weight 256.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸环己基甲酯
ethyl 1-(2-ethoxy-2-oxoethyl)-2-oxocyclohexane-1-carboxylate
Also Known As: ethyl 1-(2-ethoxy-2-oxoethyl)-2-oxocyclohexane-1-carboxylate, ethyl 1-(2-ethoxy-2-oxoethyl)-2-oxocyclohexanecarboxylate, ethyl 1-(ethoxycarbonylmethyl)-2-oxo-cyclohexane-1-carboxylate, (1-ethoxycarbonyl-2-oxo-cyclohexyl)-acetic acid ethyl ester, 1-[(Ethoxycarbonyl)methyl]-2-oxocyclohexane-1-carboxylic acid ethyl ester
| Molecular Formula | C13H20O5 |
|---|---|
| Molecular Weight | 256.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 256.13107 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 937-55-3 |
|---|---|
| SMILES | CCOC(=O)CC1(CCCCC1=O)C(=O)OCC |
| InChIKey | JEGLGZDLMRRJMI-UHFFFAOYSA-N |
Product Overview
乙酸环己基甲酯 (CAS 937-55-3), with molecular formula C13H20O5 and molecular weight 256.13 g/mol. IUPAC: ethyl 1-(2-ethoxy-2-oxoethyl)-2-oxocyclohexane-1-carboxylate.
Chemical Property Profile of 乙酸环己基甲酯
Property Insights of 乙酸环己基甲酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酸环己基甲酯. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙酸环己基甲酯. Following Lipinski's Rule of Five, 乙酸环己基甲酯 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 乙酸环己基甲酯?
The CAS number of 乙酸环己基甲酯 is 937-55-3.
What is the molecular formula of 乙酸环己基甲酯?
The molecular formula of 乙酸环己基甲酯 is C13H20O5.
What is the molecular weight of 乙酸环己基甲酯?
The molecular weight of 乙酸环己基甲酯 is 256.13 g/mol.
Where can I buy 乙酸环己基甲酯?
You can request a quote for 乙酸环己基甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸环己基甲酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸环己基甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.