Benzilic acid, 1-methyl-3-pyrrolidinyl ester, hydrochloride
TL;DR: Benzilic acid, 1-methyl-3-pyrrolidinyl ester, hydrochloride (CAS 13696-09-8) is a chemical compound with molecular formula C19H22ClNO3 and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate chloride
Also Known As: AHR 326, BENZILIC ACID, 1-METHYL-3-PYRROLIDINYL ESTER, HYDROCHLORIDE, (1-methylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate chloride, (1-Methylpyrrolidin-1-ium-3-yl)2-hydroxy-2,2-diphenylacetate chloride
| Molecular Formula | C19H22ClNO3 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | -2.24 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.1288 |
| Heavy Atoms | 24 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 13696-09-8 |
|---|---|
| SMILES | C[NH+]1CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | CQUFMBVKLXNKNE-UHFFFAOYSA-N |
Product Overview
Benzilic acid, 1-methyl-3-pyrrolidinyl ester, hydrochloride (CAS 13696-09-8), with molecular formula C19H22ClNO3 and molecular weight 347.13 g/mol. IUPAC: (1-methylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate chloride.
Chemical Property Profile of Benzilic acid, 1-methyl-3-pyrrolidinyl ester, hydrochloride
Property Insights of Benzilic acid, 1-methyl-3-pyrrolidinyl ester, hydrochloride
The XLogP value of -2.24 indicates that Benzilic acid, 1-methyl-3-pyrrolidinyl 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, 1-methyl-3-pyrrolidinyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilic acid, 1-methyl-3-pyrrolidinyl 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, 1-methyl-3-pyrrolidinyl ester, hydrochloride?
The CAS number of Benzilic acid, 1-methyl-3-pyrrolidinyl ester, hydrochloride is 13696-09-8.
What is the molecular formula of Benzilic acid, 1-methyl-3-pyrrolidinyl ester, hydrochloride?
The molecular formula of Benzilic acid, 1-methyl-3-pyrrolidinyl ester, hydrochloride is C19H22ClNO3.
What is the molecular weight of Benzilic acid, 1-methyl-3-pyrrolidinyl ester, hydrochloride?
The molecular weight of Benzilic acid, 1-methyl-3-pyrrolidinyl ester, hydrochloride is 347.13 g/mol.
Where can I buy Benzilic acid, 1-methyl-3-pyrrolidinyl ester, hydrochloride?
You can request a quote for Benzilic acid, 1-methyl-3-pyrrolidinyl 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, 1-methyl-3-pyrrolidinyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, 1-methyl-3-pyrrolidinyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.