Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1)
TL;DR: Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1) (CAS 129658-10-2) is a chemical compound with molecular formula C19H29NO6S and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-(2,5-dimethoxy-4-pentylsulfanylphenyl)ethanamine
Also Known As: 2-(2,5-Dimethoxy-4-(pentylthio)phenyl)ethylamine maleate, Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1), 2,5-Dimethoxy-4-(pentylthio)benzeneethanamine (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid;2-(2,5-dimethoxy-4-pentylsulfanylphenyl)ethanamine, Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate ( 1:1)
| Molecular Formula | C19H29NO6S |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 3.1991 |
| Topological Polar Surface Area | 119.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 399.17157 |
| Heavy Atoms | 27 |
| Complexity | 602.4626 |
Chemical Identifiers
| CAS Number | 129658-10-2 |
|---|---|
| SMILES | CCCCCSC1=C(C=C(C(=C1)OC)CCN)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1) (CAS 129658-10-2), with molecular formula C19H29NO6S and molecular weight 399.17 g/mol. IUPAC: (E)-but-2-enedioic acid;2-(2,5-dimethoxy-4-pentylsulfanylphenyl)ethanamine.
Chemical Property Profile of Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1)
Property Insights of Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1)
The XLogP value of 3.1991 indicates that Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1). Following Lipinski's Rule of Five, Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1) has 3 hydrogen bond donor(s) and 6 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, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1)?
The CAS number of Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1) is 129658-10-2.
What is the molecular formula of Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1)?
The molecular formula of Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1) is C19H29NO6S.
What is the molecular weight of Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1)?
The molecular weight of Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1) is 399.17 g/mol.
Where can I buy Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1)?
You can request a quote for Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (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, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanamine, 2,5-dimethoxy-4-(pentylthio)-, (Z)-2-butenedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.