Isopropyl cyclohexylpropionate
TL;DR: Isopropyl cyclohexylpropionate (CAS 63449-95-6) 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.
(4-propan-2-ylcyclohexyl) propanoate
Also Known As: 4-(Isopropyl)cyclohexyl propionate, isopropyl cyclohexylpropionate, (4-propan-2-ylcyclohexyl) propanoate, 4-isopropylcyclohexyl propionate, Cyclohexanol, propanoate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 63449-95-6 |
|---|---|
| SMILES | CCC(=O)OC1CCC(CC1)C(C)C |
| InChIKey | FFEOEKMMMQFWBO-UHFFFAOYSA-N |
Product Overview
Isopropyl cyclohexylpropionate (CAS 63449-95-6), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: (4-propan-2-ylcyclohexyl) propanoate.
Chemical Property Profile of Isopropyl cyclohexylpropionate
Property Insights of Isopropyl cyclohexylpropionate
The XLogP value of 3.4 indicates that Isopropyl cyclohexylpropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl cyclohexylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl cyclohexylpropionate 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 Isopropyl cyclohexylpropionate?
The CAS number of Isopropyl cyclohexylpropionate is 63449-95-6.
What is the molecular formula of Isopropyl cyclohexylpropionate?
The molecular formula of Isopropyl cyclohexylpropionate is C12H22O2.
What is the molecular weight of Isopropyl cyclohexylpropionate?
The molecular weight of Isopropyl cyclohexylpropionate is 198.16 g/mol.
Where can I buy Isopropyl cyclohexylpropionate?
You can request a quote for Isopropyl cyclohexylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl cyclohexylpropionate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl cyclohexylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.