Benzilic acid, 3-(1-pyrrolidinyl)propyl ester, hydrochloride
TL;DR: Benzilic acid, 3-(1-pyrrolidinyl)propyl ester, hydrochloride (CAS 55066-60-9) is a chemical compound with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrrolidin-1-ium-1-ylpropyl 2-hydroxy-2,2-diphenylacetate chloride
Also Known As: 3-(1-Pyrrolidinyl)propyl benzilate hydrochloride, BENZILIC ACID, 3-(1-PYRROLIDINYL)PROPYL ESTER, HYDROCHLORIDE, 3-pyrrolidin-1-ium-1-ylpropyl 2-hydroxy-2,2-diphenylacetate chloride, Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, 3-(1-pyrrolidinyl)propyl ester, hydrochloride, RefChem:1078770
| Molecular Formula | C21H26ClNO3 |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | -1.46 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.16013 |
| Heavy Atoms | 26 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 55066-60-9 |
|---|---|
| SMILES | C1CC[NH+](C1)CCCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | WVCOAAVBRUYWPP-UHFFFAOYSA-N |
Product Overview
Benzilic acid, 3-(1-pyrrolidinyl)propyl ester, hydrochloride (CAS 55066-60-9), with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol. IUPAC: 3-pyrrolidin-1-ium-1-ylpropyl 2-hydroxy-2,2-diphenylacetate chloride.
Chemical Property Profile of Benzilic acid, 3-(1-pyrrolidinyl)propyl ester, hydrochloride
Property Insights of Benzilic acid, 3-(1-pyrrolidinyl)propyl ester, hydrochloride
The XLogP value of -1.46 indicates that Benzilic acid, 3-(1-pyrrolidinyl)propyl 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, 3-(1-pyrrolidinyl)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilic acid, 3-(1-pyrrolidinyl)propyl 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, 3-(1-pyrrolidinyl)propyl ester, hydrochloride?
The CAS number of Benzilic acid, 3-(1-pyrrolidinyl)propyl ester, hydrochloride is 55066-60-9.
What is the molecular formula of Benzilic acid, 3-(1-pyrrolidinyl)propyl ester, hydrochloride?
The molecular formula of Benzilic acid, 3-(1-pyrrolidinyl)propyl ester, hydrochloride is C21H26ClNO3.
What is the molecular weight of Benzilic acid, 3-(1-pyrrolidinyl)propyl ester, hydrochloride?
The molecular weight of Benzilic acid, 3-(1-pyrrolidinyl)propyl ester, hydrochloride is 375.16 g/mol.
Where can I buy Benzilic acid, 3-(1-pyrrolidinyl)propyl ester, hydrochloride?
You can request a quote for Benzilic acid, 3-(1-pyrrolidinyl)propyl 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, 3-(1-pyrrolidinyl)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, 3-(1-pyrrolidinyl)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.