Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride
TL;DR: Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride (CAS 42023-74-5) 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.
pyridin-1-ium-2-ylmethyl 2-benzyl-3-phenylpropanoate chloride
Also Known As: 2-Pyridylmethyl dibenzylacetate hydrochloride, F 1222, Methanol, 2-pyridyl-, dibenzylacetate, hydrochloride, ACETIC ACID, DIBENZYL-, 2-PYRIDYLMETHYL ESTER, HYDROCHLORIDE, pyridin-1-ium-2-ylmethyl 2-benzyl-3-phenylpropanoate chloride
| Molecular Formula | C22H22ClNO2 |
|---|---|
| Molecular Weight | 367.13 g/mol |
| LogP | 0.65 |
| 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 | 365.0 |
Chemical Identifiers
| CAS Number | 42023-74-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=[NH+]3.[Cl-] |
| InChIKey | SHOJCTRYJJTVFK-UHFFFAOYSA-N |
Product Overview
Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride (CAS 42023-74-5), with molecular formula C22H22ClNO2 and molecular weight 367.13 g/mol. IUPAC: pyridin-1-ium-2-ylmethyl 2-benzyl-3-phenylpropanoate chloride.
Chemical Property Profile of Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride
Property Insights of Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride
The XLogP value of 0.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride. With a topological polar surface area (TPSA) of 40.4 Ų, Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, dibenzyl-, 2-pyridylmethyl 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, dibenzyl-, 2-pyridylmethyl ester, hydrochloride?
The CAS number of Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride is 42023-74-5.
What is the molecular formula of Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride?
The molecular formula of Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride is C22H22ClNO2.
What is the molecular weight of Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride?
The molecular weight of Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride is 367.13 g/mol.
Where can I buy Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride?
You can request a quote for Acetic acid, dibenzyl-, 2-pyridylmethyl 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, dibenzyl-, 2-pyridylmethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, dibenzyl-, 2-pyridylmethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.