2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1)
TL;DR: 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1) (CAS 97156-98-4) is a chemical compound with molecular formula C27H30ClNO2 and molecular weight 435.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-phenyl-2-piperidin-1-ium-1-ylethyl) 2,2-diphenylacetate chloride
Also Known As: Diphenylacetic acid beta-piperidinophenethyl ester hydrochloride, ACETIC ACID, DIPHENYL-, beta-PIPERIDINOPHENETHYL ESTER, HYDROCHLORIDE, (2-phenyl-2-piperidin-1-ium-1-ylethyl) 2,2-diphenylacetate chloride, (2-Phenyl-2-piperidin-1-ium-1-ylethyl)2,2-diphenylacetate chloride, 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1)
| Molecular Formula | C27H30ClNO2 |
|---|---|
| Molecular Weight | 435.20 g/mol |
| LogP | 1.18 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.1965 |
| Heavy Atoms | 31 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 97156-98-4 |
|---|---|
| SMILES | C1CC[NH+](CC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-] |
| InChIKey | QLSLEVBNBCJVSL-UHFFFAOYSA-N |
Product Overview
2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1) (CAS 97156-98-4), with molecular formula C27H30ClNO2 and molecular weight 435.20 g/mol. IUPAC: (2-phenyl-2-piperidin-1-ium-1-ylethyl) 2,2-diphenylacetate chloride.
Chemical Property Profile of 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1)
Property Insights of 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1)
The XLogP value of 1.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 30.7 Ų, 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1) 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 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1)?
The CAS number of 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1) is 97156-98-4.
What is the molecular formula of 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1)?
The molecular formula of 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1) is C27H30ClNO2.
What is the molecular weight of 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1)?
The molecular weight of 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1) is 435.20 g/mol.
Where can I buy 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1)?
You can request a quote for 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-2-(piperidin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.