2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1)
TL;DR: 2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1) (CAS 66902-52-1) is a chemical compound with molecular formula C21H20ClNO2 and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-1-ium-2-ylethyl 2,2-diphenylacetate chloride
Also Known As: Diphenylacetic acid 2-(2-pyridyl)ethyl ester hydrochloride, ACETIC ACID, DIPHENYL-, 2-(2-PYRIDYL)ETHYL ESTER, HYDROCHLORIDE, 2-pyridin-1-ium-2-ylethyl 2,2-diphenylacetate chloride, 2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1), Benzeneacetic acid, .alpha.-phenyl-, 2-(2-pyridinyl)ethyl ester, hydrochloride
| Molecular Formula | C21H20ClNO2 |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 0.42 |
| Topological Polar Surface Area | 40.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.11826 |
| Heavy Atoms | 25 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 66902-52-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OCCC3=CC=CC=[NH+]3.[Cl-] |
| InChIKey | TZNFGJACOZYRFM-UHFFFAOYSA-N |
Product Overview
2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1) (CAS 66902-52-1), with molecular formula C21H20ClNO2 and molecular weight 353.12 g/mol. IUPAC: 2-pyridin-1-ium-2-ylethyl 2,2-diphenylacetate chloride.
Chemical Property Profile of 2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1)
Property Insights of 2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1)
The XLogP value of 0.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 40.4 Ų, 2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyridin-2-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-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1)?
The CAS number of 2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1) is 66902-52-1.
What is the molecular formula of 2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1)?
The molecular formula of 2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1) is C21H20ClNO2.
What is the molecular weight of 2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1)?
The molecular weight of 2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1) is 353.12 g/mol.
Where can I buy 2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1)?
You can request a quote for 2-(Pyridin-2-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-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyridin-2-yl)ethyl diphenylacetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.