Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride
TL;DR: Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride (CAS 96067-96-8) is a chemical compound with molecular formula C26H28ClNO4 and molecular weight 453.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-morpholin-4-ium-4-yl-1-phenylethyl) 2-hydroxy-2,2-diphenylacetate chloride
Also Known As: Benactizina N. 55, Benactizina N. 55 [Italian], BENZILIC ACID, alpha-(MORPHOLINOMETHYL)BENZYL ESTER, HYDROCHLORIDE, 4-Morpholineethanol, alpha-phenyl-, benzilate, hydrochloride, (2-morpholin-4-ium-4-yl-1-phenylethyl) 2-hydroxy-2,2-diphenylacetate chloride
| Molecular Formula | C26H28ClNO4 |
|---|---|
| Molecular Weight | 453.17 g/mol |
| LogP | -0.87 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.1707 |
| Heavy Atoms | 32 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 96067-96-8 |
|---|---|
| SMILES | C1COCC[NH+]1CC(C2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-] |
| InChIKey | QXMQWPFAKGQLQW-UHFFFAOYSA-N |
Product Overview
Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride (CAS 96067-96-8), with molecular formula C26H28ClNO4 and molecular weight 453.17 g/mol. IUPAC: (2-morpholin-4-ium-4-yl-1-phenylethyl) 2-hydroxy-2,2-diphenylacetate chloride.
Chemical Property Profile of Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride
Property Insights of Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride
The XLogP value of -0.87 indicates that Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride. Following Lipinski's Rule of Five, Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride has 2 hydrogen bond donor(s) and 5 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 Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride?
The CAS number of Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride is 96067-96-8.
What is the molecular formula of Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride?
The molecular formula of Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride is C26H28ClNO4.
What is the molecular weight of Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride?
The molecular weight of Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride is 453.17 g/mol.
Where can I buy Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride?
You can request a quote for Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, alpha-(morpholinomethyl)benzyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.