Butyl 3-cyclohexylpropanoate
TL;DR: Butyl 3-cyclohexylpropanoate (CAS 61283-87-2) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-cyclohexylpropanoate
Also Known As: butyl 3-cyclohexylpropanoate, butyl3-cyclohexylpropanoate, 3-Cyclohexylpropanoic acid butyl ester, 3-Cyclohexylpropionic acid butyl ester, RefChem:330994
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 61283-87-2 |
|---|---|
| SMILES | CCCCOC(=O)CCC1CCCCC1 |
| InChIKey | XPJFMHLGCQSXCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 3-cyclohexylpropanoate (CAS 61283-87-2), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: butyl 3-cyclohexylpropanoate.
Chemical Property Profile of Butyl 3-cyclohexylpropanoate
Property Insights of Butyl 3-cyclohexylpropanoate
The XLogP value of 4.4 indicates that Butyl 3-cyclohexylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 3-cyclohexylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 3-cyclohexylpropanoate 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 Butyl 3-cyclohexylpropanoate?
The CAS number of Butyl 3-cyclohexylpropanoate is 61283-87-2.
What is the molecular formula of Butyl 3-cyclohexylpropanoate?
The molecular formula of Butyl 3-cyclohexylpropanoate is C13H24O2.
What is the molecular weight of Butyl 3-cyclohexylpropanoate?
The molecular weight of Butyl 3-cyclohexylpropanoate is 212.18 g/mol.
Where can I buy Butyl 3-cyclohexylpropanoate?
You can request a quote for Butyl 3-cyclohexylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-cyclohexylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-cyclohexylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.