Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
TL;DR: Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride (CAS 4544-14-3) is a chemical compound with molecular formula C20H24ClNO3 and molecular weight 361.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrolidin-1-ium-1-ylethyl 2-hydroxy-2,2-diphenylacetate chloride
Also Known As: ANC 66, 2-(1-Pyrrolidinyl)ethyl benzilate hydrochloride, BENZILIC ACID, 2-(1-PYRROLIDINYL)ETHYL ESTER, HYDROCHLORIDE, Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride, 2-pyrrolidin-1-ium-1-ylethyl 2-hydroxy-2,2-diphenylacetate chloride
| Molecular Formula | C20H24ClNO3 |
|---|---|
| Molecular Weight | 361.14 g/mol |
| LogP | -1.85 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.14447 |
| Heavy Atoms | 25 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 4544-14-3 |
|---|---|
| SMILES | C1CC[NH+](C1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | MADQXQUXQNQNPF-UHFFFAOYSA-N |
Product Overview
Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride (CAS 4544-14-3), with molecular formula C20H24ClNO3 and molecular weight 361.14 g/mol. IUPAC: 2-pyrrolidin-1-ium-1-ylethyl 2-hydroxy-2,2-diphenylacetate chloride.
Chemical Property Profile of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
Property Insights of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
The XLogP value of -1.85 indicates that Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride has 2 hydrogen bond donor(s) and 4 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, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride?
The CAS number of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride is 4544-14-3.
What is the molecular formula of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride?
The molecular formula of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride is C20H24ClNO3.
What is the molecular weight of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride?
The molecular weight of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride is 361.14 g/mol.
Where can I buy Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride?
You can request a quote for Benzilic acid, 2-(1-pyrrolidinyl)ethyl 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, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.