Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride
TL;DR: Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride (CAS 111719-47-2) is a chemical compound with molecular formula C21H24ClNO2 and molecular weight 357.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl (Z)-3-phenyl-3-pyrrolidin-1-ium-1-ylprop-2-enoate chloride
Also Known As: 1-Pyrrolidineethanol, beta-phenyl-, cinnamate, hydrochloride, CINNAMIC ACID, beta-(1-PYRROLIDINYL)PHENETHYL ESTER, HYDROCHLORIDE, phenethyl (Z)-3-phenyl-3-pyrrolidin-1-ium-1-ylprop-2-enoate chloride, RefChem:1081815
| Molecular Formula | C21H24ClNO2 |
|---|---|
| Molecular Weight | 357.15 g/mol |
| LogP | -0.5039 |
| Topological Polar Surface Area | 30.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.14957 |
| Heavy Atoms | 25 |
| Complexity | 679.55695 |
Chemical Identifiers
| CAS Number | 111719-47-2 |
|---|---|
| SMILES | C1CC[NH+](C1)/C(=C\C(=O)OCCC2=CC=CC=C2)/C3=CC=CC=C3.[Cl-] |
Product Overview
Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride (CAS 111719-47-2), with molecular formula C21H24ClNO2 and molecular weight 357.15 g/mol. IUPAC: 2-phenylethyl (Z)-3-phenyl-3-pyrrolidin-1-ium-1-ylprop-2-enoate chloride.
Chemical Property Profile of Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride
Property Insights of Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride
The XLogP value of -0.5039 indicates that Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.74 Ų, Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride has 1 hydrogen bond donor(s) and 2 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 Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride?
The CAS number of Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride is 111719-47-2.
What is the molecular formula of Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride?
The molecular formula of Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride is C21H24ClNO2.
What is the molecular weight of Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride?
The molecular weight of Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride is 357.15 g/mol.
Where can I buy Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride?
You can request a quote for Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.