But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine
TL;DR: But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine (CAS 129658-28-2) is a chemical compound with molecular formula C21H33NO6S and molecular weight 427.20285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine
Also Known As: Benzeneethanamine, 2,5-dimethoxy-4-(heptylthio)-, (Z)-2-butenedioate (1:1), 2-(4-(Heptylthio)-2,5-dimethoxyphenyl)ethylamine maleate, 2,5-Dimethoxy-4-(heptylthio)benzeneethanamine (Z)-2-butenedioate (1:1)
Technical Specifications
| Molecular Formula | C21H33NO6S |
| Molecular Weight | 427.20285 g/mol |
| XLogP | 3.9793 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 427.20285 Da |
| Heavy Atoms | 29 |
| Complexity | 372.0 |
| SMILES | CCCCCCCSC1=C(C=C(C(=C1)OC)CCN)OC.C(=CC(=O)O)C(=O)O |
| InChIKey | KMEXKDSOEGYUCQ-UHFFFAOYSA-N |
Chemical Property Profile of But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine
Property Insights of But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine
The XLogP value of 3.9793 indicates that But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine?
The CAS number of But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine is 129658-28-2.
What is the molecular formula of But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine?
The molecular formula of But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine is C21H33NO6S.
What is the molecular weight of But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine?
The molecular weight of But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine is 427.20285 g/mol.
Where can I buy But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine?
You can request a quote for But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine?
Yes, CoreyChem provides custom synthesis services for But-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.