Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1)
TL;DR: Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1) (CAS 25858-68-8) is a chemical compound with molecular formula C20H31NO4 and molecular weight 349.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;1-(4-heptylphenyl)propan-2-amine
Also Known As: 3769 CB, Methyl-1 (heptyl-4 phenyl)-2 ethyl amine maleate, Methyl-1 (heptyl-4 phenyl)-2 ethyl amine maleate [French], Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1), 4-Heptyl-alpha-methylbenzeneethanamine (Z)-2-butenedioate (1:1)
| Molecular Formula | C20H31NO4 |
|---|---|
| Molecular Weight | 349.23 g/mol |
| LogP | 3.801 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 349.2253 |
| Heavy Atoms | 25 |
| Complexity | 505.00262 |
Chemical Identifiers
| CAS Number | 25858-68-8 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)CC(C)N.C(=C\C(=O)O)\C(=O)O |
Product Overview
Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1) (CAS 25858-68-8), with molecular formula C20H31NO4 and molecular weight 349.23 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-(4-heptylphenyl)propan-2-amine.
Chemical Property Profile of Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1)
Property Insights of Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1)
The XLogP value of 3.801 indicates that Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-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-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1)?
The CAS number of Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1) is 25858-68-8.
What is the molecular formula of Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1)?
The molecular formula of Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1) is C20H31NO4.
What is the molecular weight of Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1)?
The molecular weight of Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1) is 349.23 g/mol.
Where can I buy Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1)?
You can request a quote for Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-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-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, 4-heptyl-alpha-methyl-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.