But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine
TL;DR: But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine (CAS 127876-78-2) is a chemical compound with molecular formula C18H19NO4S and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine
Also Known As: 2-(2-(Phenylthio)phenyl)ethylamine maleate
| Molecular Formula | C18H19NO4S |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 3.0508 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.1035 |
| Heavy Atoms | 24 |
| Complexity | 670.4279 |
Chemical Identifiers
| CAS Number | 127876-78-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=CC=C2CCN.C(=CC(=O)O)C(=O)O |
Product Overview
But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine (CAS 127876-78-2), with molecular formula C18H19NO4S and molecular weight 345.10 g/mol. IUPAC: but-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine.
Chemical Property Profile of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine
Property Insights of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine
The XLogP value of 3.0508 indicates that But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine 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 But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine. Following Lipinski's Rule of Five, But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine has 3 hydrogen bond donor(s) and 4 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-(2-phenylsulfanylphenyl)ethanamine?
The CAS number of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine is 127876-78-2.
What is the molecular formula of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine?
The molecular formula of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine is C18H19NO4S.
What is the molecular weight of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine?
The molecular weight of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine is 345.10 g/mol.
Where can I buy But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine?
You can request a quote for But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine 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-(2-phenylsulfanylphenyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.