1-Ethylcyclohexyl 3-oxobutanoate
TL;DR: 1-Ethylcyclohexyl 3-oxobutanoate (CAS 15780-56-0) 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.
(1-ethylcyclohexyl) 3-oxobutanoate
Also Known As: 1-Ethylcyclohexyl 3-oxobutanoate, (1-ethylcyclohexyl) 3-oxobutanoate, 1-Ethylcyclohexyl 3-oxobutanoate #, 3-Oxobutanoic acid 1-ethylcyclohexyl ester, Acetoacetic acid, 1-ethylcyclohexyl ester
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 15780-56-0 |
|---|---|
| SMILES | CCC1(CCCCC1)OC(=O)CC(=O)C |
| InChIKey | AOJQJEGJPJOEOG-UHFFFAOYSA-N |
Product Overview
1-Ethylcyclohexyl 3-oxobutanoate (CAS 15780-56-0), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: (1-ethylcyclohexyl) 3-oxobutanoate.
Chemical Property Profile of 1-Ethylcyclohexyl 3-oxobutanoate
Property Insights of 1-Ethylcyclohexyl 3-oxobutanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethylcyclohexyl 3-oxobutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, 1-Ethylcyclohexyl 3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethylcyclohexyl 3-oxobutanoate 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 1-Ethylcyclohexyl 3-oxobutanoate?
The CAS number of 1-Ethylcyclohexyl 3-oxobutanoate is 15780-56-0.
What is the molecular formula of 1-Ethylcyclohexyl 3-oxobutanoate?
The molecular formula of 1-Ethylcyclohexyl 3-oxobutanoate is C12H20O3.
What is the molecular weight of 1-Ethylcyclohexyl 3-oxobutanoate?
The molecular weight of 1-Ethylcyclohexyl 3-oxobutanoate is 212.14 g/mol.
Where can I buy 1-Ethylcyclohexyl 3-oxobutanoate?
You can request a quote for 1-Ethylcyclohexyl 3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethylcyclohexyl 3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethylcyclohexyl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.