but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine
TL;DR: but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine (CAS 129658-31-7) is a chemical compound with molecular formula C22H35NO6S and molecular weight 441.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine
Also Known As: N-Methyl-2-(4-(heptylthio)-2,5-dimethoxyphenyl)ethylamine maleate, 2,5-Dimethoxy-4-(heptylthio)-N-methylbenzeneethanamine (Z)-2-butenedioate (1:1), Benzeneethanamine, 2,5-dimethoxy-4-(heptylthio)-N-methyl-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C22H35NO6S |
|---|---|
| Molecular Weight | 441.22 g/mol |
| LogP | 4.24 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 441.2185 |
| Heavy Atoms | 30 |
| Complexity | 647.273 |
Chemical Identifiers
| CAS Number | 129658-31-7 |
|---|---|
| SMILES | CCCCCCCSC1=C(C=C(C(=C1)OC)CCNC)OC.C(=CC(=O)O)C(=O)O |
Product Overview
but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine (CAS 129658-31-7), with molecular formula C22H35NO6S and molecular weight 441.22 g/mol. IUPAC: but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine.
Chemical Property Profile of but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine
Property Insights of but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine
The XLogP value of 4.24 indicates that but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.09 Ų falls within the moderate polarity range, balancing permeability and solubility for but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine. Following Lipinski's Rule of Five, but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine 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 but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine?
The CAS number of but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine is 129658-31-7.
What is the molecular formula of but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine?
The molecular formula of but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine is C22H35NO6S.
What is the molecular weight of but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine?
The molecular weight of but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine is 441.22 g/mol.
Where can I buy but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine?
You can request a quote for but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine?
Yes, KEHONG BIO provides custom synthesis services for but-2-enedioic acid;2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.