Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl ester, hydrochloride
TL;DR: Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl ester, hydrochloride (CAS 66902-43-0) is a chemical compound with molecular formula C22H28ClNO2 and molecular weight 373.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpiperidin-1-ium-2-yl)ethyl 2,2-diphenylacetate chloride
Also Known As: Diphenylacetic acid 2-(1-methyl-2-piperidyl)ethyl ester hydrochloride, ACETIC ACID, DIPHENYL-, 2-(1-METHYL-2-PIPERIDYL)ETHYL ESTER, HYDROCHLORIDE, 2-(1-methylpiperidin-1-ium-2-yl)ethyl 2,2-diphenylacetate chloride, Benzeneacetic acid, .alpha.-phenyl-, 2-(1-methyl-2-piperidinyl)ethyl ester, hydrochloride, RefChem:1075794
| Molecular Formula | C22H28ClNO2 |
|---|---|
| Molecular Weight | 373.18 g/mol |
| LogP | -0.18 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.18085 |
| Heavy Atoms | 26 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 66902-43-0 |
|---|---|
| SMILES | C[NH+]1CCCCC1CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | BJBNBCSNPBVPAX-UHFFFAOYSA-N |
Product Overview
Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl ester, hydrochloride (CAS 66902-43-0), with molecular formula C22H28ClNO2 and molecular weight 373.18 g/mol. IUPAC: 2-(1-methylpiperidin-1-ium-2-yl)ethyl 2,2-diphenylacetate chloride.
Chemical Property Profile of Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl ester, hydrochloride
Property Insights of Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl ester, hydrochloride
The XLogP value of -0.18 indicates that Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl 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, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl 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-(1-methyl-2-piperidyl)ethyl ester, hydrochloride?
The CAS number of Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl ester, hydrochloride is 66902-43-0.
What is the molecular formula of Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl ester, hydrochloride?
The molecular formula of Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl ester, hydrochloride is C22H28ClNO2.
What is the molecular weight of Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl ester, hydrochloride?
The molecular weight of Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl ester, hydrochloride is 373.18 g/mol.
Where can I buy Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl ester, hydrochloride?
You can request a quote for Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl 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-(1-methyl-2-piperidyl)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, diphenyl-, 2-(1-methyl-2-piperidyl)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.