Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester
TL;DR: Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester (CAS 102597-10-4) is a chemical compound with molecular formula C21H25NO2 and molecular weight 323.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(diethylamino)-1-phenylethyl] (E)-3-phenylprop-2-enoate
Also Known As: alpha-((Diethylamino)methyl)benzyl cinnamate, CINNAMIC ACID, alpha-((DIETHYLAMINO)METHYL)BENZYL ESTER, [2-(diethylamino)-1-phenylethyl] (E)-3-phenylprop-2-enoate, RefChem:1081769
| Molecular Formula | C21H25NO2 |
|---|---|
| Molecular Weight | 323.19 g/mol |
| LogP | 4.3261 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 323.18854 |
| Heavy Atoms | 24 |
| Complexity | 633.403 |
Chemical Identifiers
| CAS Number | 102597-10-4 |
|---|---|
| SMILES | CCN(CC)CC(C1=CC=CC=C1)OC(=O)/C=C/C2=CC=CC=C2 |
Product Overview
Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester (CAS 102597-10-4), with molecular formula C21H25NO2 and molecular weight 323.19 g/mol. IUPAC: [2-(diethylamino)-1-phenylethyl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester
Property Insights of Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester
The XLogP value of 4.3261 indicates that Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester has 0 hydrogen bond donor(s) and 3 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-((diethylamino)methyl)benzyl ester?
The CAS number of Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester is 102597-10-4.
What is the molecular formula of Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester?
The molecular formula of Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester is C21H25NO2.
What is the molecular weight of Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester?
The molecular weight of Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester is 323.19 g/mol.
Where can I buy Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester?
You can request a quote for Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester 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-((diethylamino)methyl)benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.