Benzeneethanamine, 4-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1)
TL;DR: Benzeneethanamine, 4-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1) (CAS 25858-66-6) 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.
(Z)-but-2-enedioic acid;1-(4-pentylphenyl)propan-2-amine
Also Known As: 3705 CB, Methyl-1 (pentyl-4 phenyl)-2 ethyl amine maleate, 4-Pentyl-alpha-methylbenzeneethanamine (Z)-2-butenedioate (1:1), Methyl-1 (pentyl-4 phenyl)-2 ethyl amine maleate [French], Benzeneethanamine, 4-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C18H27NO4 |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 3.0208 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 321.194 |
| Heavy Atoms | 23 |
| Complexity | 476.248 |
Chemical Identifiers
| CAS Number | 25858-66-6 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)CC(C)N.C(=C\C(=O)O)\C(=O)O |
Product Overview
Benzeneethanamine, 4-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1) (CAS 25858-66-6), with molecular formula C18H27NO4 and molecular weight 321.19 g/mol. IUPAC: (Z)-but-2-enedioic acid;1-(4-pentylphenyl)propan-2-amine.
Chemical Property Profile of Benzeneethanamine, 4-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1)
Property Insights of Benzeneethanamine, 4-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1)
The XLogP value of 3.0208 indicates that Benzeneethanamine, 4-pentyl-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-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Benzeneethanamine, 4-pentyl-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-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1)?
The CAS number of Benzeneethanamine, 4-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1) is 25858-66-6.
What is the molecular formula of Benzeneethanamine, 4-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1)?
The molecular formula of Benzeneethanamine, 4-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1) is C18H27NO4.
What is the molecular weight of Benzeneethanamine, 4-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1)?
The molecular weight of Benzeneethanamine, 4-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1) is 321.19 g/mol.
Where can I buy Benzeneethanamine, 4-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1)?
You can request a quote for Benzeneethanamine, 4-pentyl-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-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, 4-pentyl-alpha-methyl-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.