Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride
TL;DR: Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride (CAS 66902-53-2) is a chemical compound with molecular formula C22H22ClNO2 and molecular weight 367.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-1-ium-2-ylpropyl 2,2-diphenylacetate chloride
Also Known As: Diphenylacetic acid 3-(2-pyridyl)propyl ester hydrochloride, ACETIC ACID, DIPHENYL-, 3-(2-PYRIDYL)PROPYL ESTER, HYDROCHLORIDE, 3-pyridin-1-ium-2-ylpropyl 2,2-diphenylacetate chloride, Benzeneacetic acid, .alpha.-phenyl-, 3-(2-pyridinyl)propyl ester, hydrochloride, RefChem:1075801
| Molecular Formula | C22H22ClNO2 |
|---|---|
| Molecular Weight | 367.13 g/mol |
| LogP | 0.81 |
| Topological Polar Surface Area | 40.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 367.1339 |
| Heavy Atoms | 26 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 66902-53-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OCCCC3=CC=CC=[NH+]3.[Cl-] |
| InChIKey | PZYPIWGWBGRFEP-UHFFFAOYSA-N |
Product Overview
Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride (CAS 66902-53-2), with molecular formula C22H22ClNO2 and molecular weight 367.13 g/mol. IUPAC: 3-pyridin-1-ium-2-ylpropyl 2,2-diphenylacetate chloride.
Chemical Property Profile of Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride
Property Insights of Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride
The XLogP value of 0.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride. With a topological polar surface area (TPSA) of 40.4 Ų, Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, diphenyl-, 3-(2-pyridyl)propyl 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-, 3-(2-pyridyl)propyl ester, hydrochloride?
The CAS number of Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride is 66902-53-2.
What is the molecular formula of Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride?
The molecular formula of Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride is C22H22ClNO2.
What is the molecular weight of Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride?
The molecular weight of Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride is 367.13 g/mol.
Where can I buy Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride?
You can request a quote for Acetic acid, diphenyl-, 3-(2-pyridyl)propyl 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-, 3-(2-pyridyl)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.