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 357.14957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C21H24ClNO2 |
| Molecular Weight | 357.14957 g/mol |
| XLogP | -0.5039 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.14957 Da |
| Heavy Atoms | 25 |
| Complexity | 414.0 |
| SMILES | C1CC[NH+](C1)/C(=C\C(=O)OCCC2=CC=CC=C2)/C3=CC=CC=C3.[Cl-] |
| InChIKey | DTPSRTCQTFKFMX-BZHDPTRRSA-N |
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 30.7 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 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 357.14957 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride?
Yes, CoreyChem 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.