Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride
TL;DR: Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride (CAS 3626-06-0) is a chemical compound with molecular formula C21H26ClNO2 and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-ylethyl 2,2-diphenylacetate;hydrochloride
Also Known As: Ainicaine hydrochloride, 2-Piperidinoethyl diphenylacetate hydrochloride, Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride, 2-piperidin-1-ylethyl 2,2-diphenylacetate;hydrochloride, 2-piperidin-1-ylethyl diphenylacetate hydrochloride
| Molecular Formula | C21H26ClNO2 |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 4.2694 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.1652 |
| Heavy Atoms | 25 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 3626-06-0 |
|---|---|
| SMILES | C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl |
| InChIKey | NEHAUHUOASUINS-UHFFFAOYSA-N |
Product Overview
Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride (CAS 3626-06-0), with molecular formula C21H26ClNO2 and molecular weight 359.17 g/mol. IUPAC: 2-piperidin-1-ylethyl 2,2-diphenylacetate;hydrochloride.
Chemical Property Profile of Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride
Property Insights of Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride
The XLogP value of 4.2694 indicates that Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, diphenyl-, 2-piperidinoethyl 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, diphenyl-, 2-piperidinoethyl ester, hydrochloride?
The CAS number of Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride is 3626-06-0.
What is the molecular formula of Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride?
The molecular formula of Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride is C21H26ClNO2.
What is the molecular weight of Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride?
The molecular weight of Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride is 359.17 g/mol.
Where can I buy Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride?
You can request a quote for Acetic acid, diphenyl-, 2-piperidinoethyl 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, diphenyl-, 2-piperidinoethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, diphenyl-, 2-piperidinoethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.