Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride
TL;DR: Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride (CAS 66902-60-1) is a chemical compound with molecular formula C18H28ClNO2 and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 2-phenylacetate chloride
Also Known As: Phenylacetic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochloride, ACETIC ACID, PHENYL-, 3-(2,6-DIMETHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 2-phenylacetate chloride, Benzeneacetic acid, 3-(2,6-dimethyl-1-piperidinyl)propyl ester, hydrochloride, RefChem:1075840
| Molecular Formula | C18H28ClNO2 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | -0.99 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.18085 |
| Heavy Atoms | 22 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 66902-60-1 |
|---|---|
| SMILES | CC1CCCC([NH+]1CCCOC(=O)CC2=CC=CC=C2)C.[Cl-] |
| InChIKey | CTACUHYCOFPQTL-UHFFFAOYSA-N |
Product Overview
Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride (CAS 66902-60-1), with molecular formula C18H28ClNO2 and molecular weight 325.18 g/mol. IUPAC: 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 2-phenylacetate chloride.
Chemical Property Profile of Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride
Property Insights of Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride
The XLogP value of -0.99 indicates that Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl 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, Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl 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 Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride?
The CAS number of Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride is 66902-60-1.
What is the molecular formula of Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride?
The molecular formula of Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride is C18H28ClNO2.
What is the molecular weight of Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride?
The molecular weight of Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride is 325.18 g/mol.
Where can I buy Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride?
You can request a quote for Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.