Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride
TL;DR: Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride (CAS 1952-14-3) is a chemical compound with molecular formula C20H24ClNO2 and molecular weight 345.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-1-ium-4-yl) 2,2-diphenylacetate chloride
Also Known As: Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride, 1-Methyl-4-piperidyl ester of diphenylacetic acid hydrochloride, (1-methylpiperidin-1-ium-4-yl) 2,2-diphenylacetate;chloride, ACETIC ACID, DIPHENYL-, 1-METHYL-4-PIPERIDYL ESTER, HYDROCHLORIDE, (1-methylpiperidin-1-ium-4-yl) 2,2-diphenylacetate chloride
| Molecular Formula | C20H24ClNO2 |
|---|---|
| Molecular Weight | 345.15 g/mol |
| LogP | -0.96 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.14957 |
| Heavy Atoms | 24 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 1952-14-3 |
|---|---|
| SMILES | C[NH+]1CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | KDXCCWHVFRELBS-UHFFFAOYSA-N |
Product Overview
Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride (CAS 1952-14-3), with molecular formula C20H24ClNO2 and molecular weight 345.15 g/mol. IUPAC: (1-methylpiperidin-1-ium-4-yl) 2,2-diphenylacetate chloride.
Chemical Property Profile of Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride
Property Insights of Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride
The XLogP value of -0.96 indicates that Diphenylacetic acid 1-methyl-4-piperidyl 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, Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenylacetic acid 1-methyl-4-piperidyl 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 Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride?
The CAS number of Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride is 1952-14-3.
What is the molecular formula of Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride?
The molecular formula of Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride is C20H24ClNO2.
What is the molecular weight of Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride?
The molecular weight of Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride is 345.15 g/mol.
Where can I buy Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride?
You can request a quote for Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Diphenylacetic acid 1-methyl-4-piperidyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.