Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1)
TL;DR: Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1) (CAS 25858-62-2) is a chemical compound with molecular formula C18H27NO4 and molecular weight 321.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(4-butylphenyl)-N-methylpropan-2-amine
Also Known As: 2200 CB, 4-Butyl-N,alpha-dimethylbenzeneethanamine (E)-2-butenedioate (1:1), Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1), N-(Methyl-1 (butyl-4 phenyl)-2 ethyl) N-methyl amine fumarate, N-(Methyl-1 (butyl-4 phenyl)-2 ethyl) N-methyl amine fumarate [French]
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 2.8914 |
| Topological Polar Surface Area | 86.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 321.194 |
| Heavy Atoms | 23 |
| Complexity | 478.248 |
Chemical Identifiers
| CAS Number | 25858-62-2 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)CC(C)NC.C(=C/C(=O)O)\C(=O)O |
Product Overview
Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1) (CAS 25858-62-2), with molecular formula C18H27NO4 and molecular weight 321.19 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(4-butylphenyl)-N-methylpropan-2-amine.
Chemical Property Profile of Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1)
Property Insights of Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1)
The XLogP value of 2.8914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1). The TPSA of 86.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1) has 3 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 Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1)?
The CAS number of Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1) is 25858-62-2.
What is the molecular formula of Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1)?
The molecular formula of Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1) is C18H27NO4.
What is the molecular weight of Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1)?
The molecular weight of Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1) is 321.19 g/mol.
Where can I buy Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1)?
You can request a quote for Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, 4-butyl-N,alpha-dimethyl-, (E)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.