3-Cyclohexylpropyl butyrate
TL;DR: 3-Cyclohexylpropyl butyrate (CAS 94200-13-2) 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.
3-cyclohexylpropyl butanoate
Also Known As: 3-Cyclohexylpropyl butyrate, 3-cyclohexylpropyl butanoate, 3-cyclohexylpropylbutyrate, EINECS 303-490-7, Butyric acid 3-cyclohexylpropyl ester
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 3.6902 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 171.37477 |
Chemical Identifiers
| CAS Number | 94200-13-2 |
|---|---|
| SMILES | CCCC(=O)OCCCC1CCCCC1 |
Product Overview
3-Cyclohexylpropyl butyrate (CAS 94200-13-2), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: 3-cyclohexylpropyl butanoate.
Chemical Property Profile of 3-Cyclohexylpropyl butyrate
Property Insights of 3-Cyclohexylpropyl butyrate
The XLogP value of 3.6902 indicates that 3-Cyclohexylpropyl 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, 3-Cyclohexylpropyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexylpropyl 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 3-Cyclohexylpropyl butyrate?
The CAS number of 3-Cyclohexylpropyl butyrate is 94200-13-2.
What is the molecular formula of 3-Cyclohexylpropyl butyrate?
The molecular formula of 3-Cyclohexylpropyl butyrate is C13H24O2.
What is the molecular weight of 3-Cyclohexylpropyl butyrate?
The molecular weight of 3-Cyclohexylpropyl butyrate is 212.18 g/mol.
Where can I buy 3-Cyclohexylpropyl butyrate?
You can request a quote for 3-Cyclohexylpropyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexylpropyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexylpropyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.