Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride
TL;DR: Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride (CAS 13696-06-5) 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.
(1-ethylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride
Also Known As: AHR 324, Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride, (1-ethylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate hydrochloride, 1-Ethylpyrrolidin-3-yl hydroxy(diphenyl)acetate--hydrogen chloride (1/1), 1-Ethylpyrrolidin-3-yl hydroxydi(phenyl)acetate--hydrogen chloride (1/1)
| Molecular Formula | C20H24ClNO3 |
|---|---|
| Molecular Weight | 361.14 g/mol |
| LogP | 2.9817 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.14447 |
| Heavy Atoms | 25 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 13696-06-5 |
|---|---|
| SMILES | CCN1CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl |
| InChIKey | WWQDXPKNYJBYAP-UHFFFAOYSA-N |
Product Overview
Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride (CAS 13696-06-5), with molecular formula C20H24ClNO3 and molecular weight 361.14 g/mol. IUPAC: (1-ethylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate;hydrochloride.
Chemical Property Profile of Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride
Property Insights of Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride
The XLogP value of 2.9817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride. With a topological polar surface area (TPSA) of 49.8 Ų, Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilic acid, 1-ethyl-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-ethyl-3-pyrrolidinyl ester, hydrochloride?
The CAS number of Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride is 13696-06-5.
What is the molecular formula of Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride?
The molecular formula of Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride is C20H24ClNO3.
What is the molecular weight of Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride?
The molecular weight of Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride is 361.14 g/mol.
Where can I buy Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride?
You can request a quote for Benzilic acid, 1-ethyl-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-ethyl-3-pyrrolidinyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.