Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate
TL;DR: Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate (CAS 69680-57-5) is a chemical compound with molecular formula C14H24O4 and molecular weight 256.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-acetyloxy-3-cyclohexyl-2-methylpropanoate
Also Known As: ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate, ethyl 3-acetyloxy-3-cyclohexyl-2-methylpropanoate, ETHYL 3-ACETYLOXY-3-CYCLOHEXYL-2-METHYL-PROPANOATE, Cyclohexanepropanoicacid, b-(acetyloxy)-a-methyl-, ethyl ester
| Molecular Formula | C14H24O4 |
|---|---|
| Molecular Weight | 256.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 256.16745 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 69680-57-5 |
|---|---|
| SMILES | CCOC(=O)C(C)C(C1CCCCC1)OC(=O)C |
| InChIKey | XHKWBQKXDINSRI-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate (CAS 69680-57-5), with molecular formula C14H24O4 and molecular weight 256.17 g/mol. IUPAC: ethyl 3-acetyloxy-3-cyclohexyl-2-methylpropanoate.
Chemical Property Profile of Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate
Property Insights of Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate
The XLogP value of 3.3 indicates that Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate has 0 hydrogen bond donor(s) and 4 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 Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate?
The CAS number of Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate is 69680-57-5.
What is the molecular formula of Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate?
The molecular formula of Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate is C14H24O4.
What is the molecular weight of Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate?
The molecular weight of Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate is 256.17 g/mol.
Where can I buy Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate?
You can request a quote for Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(acetyloxy)-3-cyclohexyl-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.