1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1)
TL;DR: 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1) (CAS 66902-50-9) 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.
1-pyridin-1-ium-2-ylpropan-2-yl 2,2-diphenylacetate chloride
Also Known As: Diphenylacetic acid 1-methyl-2-(2-pyridyl)ethyl ester hydrochloride, ACETIC ACID, DIPHENYL-, 1-METHYL-2-(2-PYRIDYL)ETHYL ESTER, HYDROCHLORIDE, 1-pyridin-1-ium-2-ylpropan-2-yl 2,2-diphenylacetate chloride, 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1), Benzeneacetic acid, .alpha.-phenyl-, 1-methyl-2-(2-pyridinyl)ethyl ester, hydrochloride
| 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 | 7 |
| Exact Mass | 367.1339 |
| Heavy Atoms | 26 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 66902-50-9 |
|---|---|
| SMILES | CC(CC1=CC=CC=[NH+]1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | DTJIRARZQAXUQM-UHFFFAOYSA-N |
Product Overview
1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1) (CAS 66902-50-9), with molecular formula C22H22ClNO2 and molecular weight 367.13 g/mol. IUPAC: 1-pyridin-1-ium-2-ylpropan-2-yl 2,2-diphenylacetate chloride.
Chemical Property Profile of 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1)
Property Insights of 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1)
The XLogP value of 0.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 40.4 Ų, 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Pyridin-2-yl)propan-2-yl 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 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1)?
The CAS number of 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1) is 66902-50-9.
What is the molecular formula of 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1)?
The molecular formula of 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1) is C22H22ClNO2.
What is the molecular weight of 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1)?
The molecular weight of 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1) is 367.13 g/mol.
Where can I buy 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1)?
You can request a quote for 1-(Pyridin-2-yl)propan-2-yl 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 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-(Pyridin-2-yl)propan-2-yl diphenylacetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.