1-Cyclohexylethyl butyrate
TL;DR: 1-Cyclohexylethyl butyrate (CAS 63449-88-7) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexylethyl butanoate
Also Known As: 1-Cyclohexylethyl butyrate, 1-cyclohexylethyl butanoate, cyclohexylethyl butyrate, 1-cyclohexylethylbutyrate, Butanoic acid, 1-cyclohexylethyl ester
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 63449-88-7 |
|---|---|
| SMILES | CCCC(=O)OC(C)C1CCCCC1 |
| InChIKey | FTMSYMOBBRINAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyclohexylethyl butyrate (CAS 63449-88-7), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 1-cyclohexylethyl butanoate.
Chemical Property Profile of 1-Cyclohexylethyl butyrate
Property Insights of 1-Cyclohexylethyl butyrate
The XLogP value of 3.7 indicates that 1-Cyclohexylethyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Cyclohexylethyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexylethyl butyrate has 0 hydrogen bond donor(s) and 2 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-Cyclohexylethyl butyrate?
The CAS number of 1-Cyclohexylethyl butyrate is 63449-88-7.
What is the molecular formula of 1-Cyclohexylethyl butyrate?
The molecular formula of 1-Cyclohexylethyl butyrate is C12H22O2.
What is the molecular weight of 1-Cyclohexylethyl butyrate?
The molecular weight of 1-Cyclohexylethyl butyrate is 198.16 g/mol.
Where can I buy 1-Cyclohexylethyl butyrate?
You can request a quote for 1-Cyclohexylethyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexylethyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexylethyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.