Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride
TL;DR: Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride (CAS 63768-16-1) is a chemical compound with molecular formula C21H27ClN2O3 and molecular weight 390.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(piperidin-1-ium-1-ylamino)ethyl 2-hydroxy-2,2-diphenylacetate chloride
Also Known As: Pipethanate, N-Piperidinoaminoethyl benzylate hydrochloride, BENZILIC ACID, 2-(PIPERIDINOAMINO)ETHYL ESTER, HYDROCHLORIDE, 2-(piperidin-1-ium-1-ylamino)ethyl 2-hydroxy-2,2-diphenylacetate chloride, Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, 2-(1-piperidinylamino)ethyl ester, monohydrochloride
| Molecular Formula | C21H27ClN2O3 |
|---|---|
| Molecular Weight | 390.17 g/mol |
| LogP | -1.96 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 390.17102 |
| Heavy Atoms | 27 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 63768-16-1 |
|---|---|
| SMILES | C1CC[NH+](CC1)NCCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[Cl-] |
| InChIKey | BMRZXTWWJWFRFQ-UHFFFAOYSA-N |
Product Overview
Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride (CAS 63768-16-1), with molecular formula C21H27ClN2O3 and molecular weight 390.17 g/mol. IUPAC: 2-(piperidin-1-ium-1-ylamino)ethyl 2-hydroxy-2,2-diphenylacetate chloride.
Chemical Property Profile of Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride
Property Insights of Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride
The XLogP value of -1.96 indicates that Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride. Following Lipinski's Rule of Five, Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride has 3 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, 2-(piperidinoamino)ethyl ester, hydrochloride?
The CAS number of Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride is 63768-16-1.
What is the molecular formula of Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride?
The molecular formula of Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride is C21H27ClN2O3.
What is the molecular weight of Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride?
The molecular weight of Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride is 390.17 g/mol.
Where can I buy Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride?
You can request a quote for Benzilic acid, 2-(piperidinoamino)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-(piperidinoamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, 2-(piperidinoamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.