(Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1)
TL;DR: (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1) (CAS 42023-68-7) is a chemical compound with molecular formula C20H18ClNO2 and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-1-ium-2-ylmethyl 2,2-diphenylacetate chloride
Also Known As: 2-Pyridylmethyl diphenylacetate hydrochloride, Methanol, 2-pyridyl-, diphenylacetate, hydrochloride, ACETIC ACID, DIPHENYL-, 2-PYRIDYLMETHYL ESTER, HYDROCHLORIDE, pyridin-1-ium-2-ylmethyl 2,2-diphenylacetate chloride, (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1)
| Molecular Formula | C20H18ClNO2 |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 0.38 |
| Topological Polar Surface Area | 40.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.1026 |
| Heavy Atoms | 24 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 42023-68-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OCC3=CC=CC=[NH+]3.[Cl-] |
| InChIKey | HPZSJXFPOLMSFY-UHFFFAOYSA-N |
Product Overview
(Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1) (CAS 42023-68-7), with molecular formula C20H18ClNO2 and molecular weight 339.10 g/mol. IUPAC: pyridin-1-ium-2-ylmethyl 2,2-diphenylacetate chloride.
Chemical Property Profile of (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1)
Property Insights of (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1)
The XLogP value of 0.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 40.4 Ų, (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Pyridin-2-yl)methyl 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 (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1)?
The CAS number of (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1) is 42023-68-7.
What is the molecular formula of (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1)?
The molecular formula of (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1) is C20H18ClNO2.
What is the molecular weight of (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1)?
The molecular weight of (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1) is 339.10 g/mol.
Where can I buy (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1)?
You can request a quote for (Pyridin-2-yl)methyl 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 (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for (Pyridin-2-yl)methyl diphenylacetate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.