3-Methyl-4-phenyl-3-butenoic acid diethylamide
TL;DR: 3-Methyl-4-phenyl-3-butenoic acid diethylamide (CAS 58458-55-2) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-methyl-4-phenylbut-3-enamide
Also Known As: beta-Benzalbutyrate diethylamide, 3-Methyl-4-phenyl-3-butenoic acid diethylamide, N,N-Diethyl-3-methyl-4-phenyl-3-butenamide, 3-Butenamide,N,N-diethyl-3-methyl-4-phenyl, 3-methyl-4-phenyl-3-butenoicaciddiethylamide
| Molecular Formula | C15H21NO |
|---|---|
| Molecular Weight | 231.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.16231 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 58458-55-2 |
|---|---|
| SMILES | CCN(CC)C(=O)CC(=CC1=CC=CC=C1)C |
| InChIKey | VSHBKFZWSYFCND-UHFFFAOYSA-N |
Product Overview
3-Methyl-4-phenyl-3-butenoic acid diethylamide (CAS 58458-55-2), with molecular formula C15H21NO and molecular weight 231.16 g/mol. IUPAC: N,N-diethyl-3-methyl-4-phenylbut-3-enamide.
Chemical Property Profile of 3-Methyl-4-phenyl-3-butenoic acid diethylamide
Property Insights of 3-Methyl-4-phenyl-3-butenoic acid diethylamide
The XLogP value of 3.3 indicates that 3-Methyl-4-phenyl-3-butenoic acid diethylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 3-Methyl-4-phenyl-3-butenoic acid diethylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-phenyl-3-butenoic acid diethylamide has 0 hydrogen bond donor(s) and 1 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 3-Methyl-4-phenyl-3-butenoic acid diethylamide?
The CAS number of 3-Methyl-4-phenyl-3-butenoic acid diethylamide is 58458-55-2.
What is the molecular formula of 3-Methyl-4-phenyl-3-butenoic acid diethylamide?
The molecular formula of 3-Methyl-4-phenyl-3-butenoic acid diethylamide is C15H21NO.
What is the molecular weight of 3-Methyl-4-phenyl-3-butenoic acid diethylamide?
The molecular weight of 3-Methyl-4-phenyl-3-butenoic acid diethylamide is 231.16 g/mol.
Where can I buy 3-Methyl-4-phenyl-3-butenoic acid diethylamide?
You can request a quote for 3-Methyl-4-phenyl-3-butenoic acid diethylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-phenyl-3-butenoic acid diethylamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-phenyl-3-butenoic acid diethylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.