but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine
TL;DR: but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine (CAS 127876-80-6) is a chemical compound with molecular formula C20H23NO4S and molecular weight 373.13477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine
Also Known As: N,N-Dimethyl-2-(2-(phenylthio)phenyl)ethylamine maleate
Technical Specifications
| Molecular Formula | C20H23NO4S |
| Molecular Weight | 373.13477 g/mol |
| XLogP | 3.6537 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.13477 Da |
| Heavy Atoms | 26 |
| Complexity | 342.0 |
| SMILES | CN(C)CCC1=CC=CC=C1SC2=CC=CC=C2.C(=CC(=O)O)C(=O)O |
| InChIKey | KXXCMXBTQGGTKM-UHFFFAOYSA-N |
Chemical Property Profile of but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine
Property Insights of but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine
The XLogP value of 3.6537 indicates that but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine. Following Lipinski's Rule of Five, but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine has 2 hydrogen bond donor(s) and 6 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;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine?
The CAS number of but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine is 127876-80-6.
What is the molecular formula of but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine?
The molecular formula of but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine is C20H23NO4S.
What is the molecular weight of but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine?
The molecular weight of but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine is 373.13477 g/mol.
Where can I buy but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine?
You can request a quote for but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine?
Yes, CoreyChem provides custom synthesis services for but-2-enedioic acid;N,N-dimethyl-2-(2-phenylsulfanylphenyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.