3-Cyclohexylpropyl isovalerate
TL;DR: 3-Cyclohexylpropyl isovalerate (CAS 93857-92-2) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexylpropyl 3-methylbutanoate
Also Known As: 3-Cyclohexylpropyl isovalerate, 3-cyclohexylpropyl 3-methylbutanoate, 3-cyclohexylpropylisovalerate, EINECS 299-226-2, 3-Methylbutyric acid 3-cyclohexylpropyl ester
| Molecular Formula | C14H26O2 |
|---|---|
| Molecular Weight | 226.19 g/mol |
| LogP | 3.9362 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.19328 |
| Heavy Atoms | 16 |
| Complexity | 192.91202 |
Chemical Identifiers
| CAS Number | 93857-92-2 |
|---|---|
| SMILES | CC(C)CC(=O)OCCCC1CCCCC1 |
Product Overview
3-Cyclohexylpropyl isovalerate (CAS 93857-92-2), with molecular formula C14H26O2 and molecular weight 226.19 g/mol. IUPAC: 3-cyclohexylpropyl 3-methylbutanoate.
Chemical Property Profile of 3-Cyclohexylpropyl isovalerate
Property Insights of 3-Cyclohexylpropyl isovalerate
The XLogP value of 3.9362 indicates that 3-Cyclohexylpropyl isovalerate 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 isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexylpropyl isovalerate 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 isovalerate?
The CAS number of 3-Cyclohexylpropyl isovalerate is 93857-92-2.
What is the molecular formula of 3-Cyclohexylpropyl isovalerate?
The molecular formula of 3-Cyclohexylpropyl isovalerate is C14H26O2.
What is the molecular weight of 3-Cyclohexylpropyl isovalerate?
The molecular weight of 3-Cyclohexylpropyl isovalerate is 226.19 g/mol.
Where can I buy 3-Cyclohexylpropyl isovalerate?
You can request a quote for 3-Cyclohexylpropyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexylpropyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexylpropyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.