Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride
TL;DR: Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride (CAS 1532-01-0) is a chemical compound with molecular formula C15H28ClNO2 and molecular weight 289.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-piperidin-1-ium-1-ylcyclohexyl) 2-methylpropanoate chloride
Also Known As: ISOBUTYRIC ACID, 4-PIPERIDINOCYCLOHEXYL ESTER, HYDROCHLORIDE, (4-piperidin-1-ium-1-ylcyclohexyl) 2-methylpropanoate chloride, Propanoic acid, 2-methyl-, 4-(1-piperidinyl)cyclohexyl ester, hydrochloride, (4-Piperidin-1-ium-1-ylcyclohexyl)2-methylpropanoate chloride, RefChem:1087521
| Molecular Formula | C15H28ClNO2 |
|---|---|
| Molecular Weight | 289.18 g/mol |
| LogP | -1.43 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.18085 |
| Heavy Atoms | 19 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 1532-01-0 |
|---|---|
| SMILES | CC(C)C(=O)OC1CCC(CC1)[NH+]2CCCCC2.[Cl-] |
| InChIKey | MMGAXWAZJLRZCM-UHFFFAOYSA-N |
Product Overview
Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride (CAS 1532-01-0), with molecular formula C15H28ClNO2 and molecular weight 289.18 g/mol. IUPAC: (4-piperidin-1-ium-1-ylcyclohexyl) 2-methylpropanoate chloride.
Chemical Property Profile of Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride
Property Insights of Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride
The XLogP value of -1.43 indicates that Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride has 1 hydrogen bond donor(s) and 3 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 Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride?
The CAS number of Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride is 1532-01-0.
What is the molecular formula of Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride?
The molecular formula of Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride is C15H28ClNO2.
What is the molecular weight of Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride?
The molecular weight of Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride is 289.18 g/mol.
Where can I buy Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride?
You can request a quote for Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isobutyric acid, 4-piperidinocyclohexyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.