3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1)
TL;DR: 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1) (CAS 20067-94-1) is a chemical compound with molecular formula C24H29NO4 and molecular weight 395.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[(E)-4-[2-(2-phenylethyl)phenyl]but-3-enyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: N,N-Dimethyl-4-(o-phenethylphenyl)-3-butenylamine fumarate, 3-BUTENYLAMINE, N,N-DIMETHYL-4-(o-PHENETHYLPHENYL)-, FUMARATE (1:1), 4-Dimethylamino-1-(2-(2-phenylethyl)phenyl)butene hydrogen fumarate, 4-Dimethylamino-1-(2-(2-phenylaethyl)phenyl)buten hydrogenfumarat [German], 4-Dimethylamino-1-(2-(2-phenylaethyl)phenyl)buten hydrogenfumarat
| Molecular Formula | C24H29NO4 |
|---|---|
| Molecular Weight | 395.21 g/mol |
| LogP | 1.3967 |
| Topological Polar Surface Area | 81.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 395.20966 |
| Heavy Atoms | 29 |
| Complexity | 794.6402 |
Chemical Identifiers
| CAS Number | 20067-94-1 |
|---|---|
| SMILES | C[NH+](C)CC/C=C/C1=CC=CC=C1CCC2=CC=CC=C2.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1) (CAS 20067-94-1), with molecular formula C24H29NO4 and molecular weight 395.21 g/mol. IUPAC: dimethyl-[(E)-4-[2-(2-phenylethyl)phenyl]but-3-enyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1)
Property Insights of 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1)
The XLogP value of 1.3967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1). The TPSA of 81.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1). Following Lipinski's Rule of Five, 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1) has 2 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 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1)?
The CAS number of 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1) is 20067-94-1.
What is the molecular formula of 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1)?
The molecular formula of 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1) is C24H29NO4.
What is the molecular weight of 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1)?
The molecular weight of 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1) is 395.21 g/mol.
Where can I buy 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1)?
You can request a quote for 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenylamine, N,N-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.