2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride
TL;DR: 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride (CAS 5449-57-0) is a chemical compound with molecular formula C21H26ClNO2 and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-diphenylprop-2-enoyloxy)ethyl-diethylazanium chloride
Also Known As: 3,3-Diphenylacrylic acid 2-(diethylamino)ethyl ester hydrochloride, 2-Propenoic acid, 3,3-diphenyl-, 2-(diethylamino)ethyl ester, hydrochloride, ACRYLIC ACID, 3,3-DIPHENYL-, 2'-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, 2-(3,3-diphenylprop-2-enoyloxy)ethyl-diethylazanium chloride, 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride
| Molecular Formula | C21H26ClNO2 |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | -0.41 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 359.1652 |
| Heavy Atoms | 25 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 5449-57-0 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C=C(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-] |
| InChIKey | BEHAYNJEBLPIAF-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride (CAS 5449-57-0), with molecular formula C21H26ClNO2 and molecular weight 359.17 g/mol. IUPAC: 2-(3,3-diphenylprop-2-enoyloxy)ethyl-diethylazanium chloride.
Chemical Property Profile of 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride
Property Insights of 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride
The XLogP value of -0.41 indicates that 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate 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, 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate 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
Frequently Asked Questions
What is the CAS number of 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride?
The CAS number of 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride is 5449-57-0.
What is the molecular formula of 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride?
The molecular formula of 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride is C21H26ClNO2.
What is the molecular weight of 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride?
The molecular weight of 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride is 359.17 g/mol.
Where can I buy 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride?
You can request a quote for 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 3,3-diphenylprop-2-enoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.