Cinnamic acid, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride
TL;DR: Cinnamic acid, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride (CAS 102177-64-0) is a chemical compound with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium chloride
Also Known As: alpha-((Dimethylamino)methyl)benzyl cinnamate hydrochloride, CINNAMIC ACID, alpha-((DIMETHYLAMINO)METHYL)BENZYL ESTER, HYDROCHLORIDE, dimethyl-[2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium chloride, RefChem:1081770
| Molecular Formula | C19H22ClNO2 |
|---|---|
| Molecular Weight | 331.13 g/mol |
| LogP | -0.8672 |
| Topological Polar Surface Area | 30.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.1339 |
| Heavy Atoms | 23 |
| Complexity | 611.78143 |
Chemical Identifiers
| CAS Number | 102177-64-0 |
|---|---|
| SMILES | C[NH+](C)CC(C1=CC=CC=C1)OC(=O)/C=C/C2=CC=CC=C2.[Cl-] |
Product Overview
Cinnamic acid, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride (CAS 102177-64-0), with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol. IUPAC: dimethyl-[2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium chloride.
Chemical Property Profile of Cinnamic acid, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride
Property Insights of Cinnamic acid, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride
The XLogP value of -0.8672 indicates that Cinnamic acid, alpha-((dimethylamino)methyl)benzyl 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, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamic acid, alpha-((dimethylamino)methyl)benzyl 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, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride?
The CAS number of Cinnamic acid, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride is 102177-64-0.
What is the molecular formula of Cinnamic acid, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride?
The molecular formula of Cinnamic acid, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride is C19H22ClNO2.
What is the molecular weight of Cinnamic acid, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride?
The molecular weight of Cinnamic acid, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride is 331.13 g/mol.
Where can I buy Cinnamic acid, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride?
You can request a quote for Cinnamic acid, alpha-((dimethylamino)methyl)benzyl 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, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cinnamic acid, alpha-((dimethylamino)methyl)benzyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.