But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine
TL;DR: But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine (CAS 127876-81-7) is a chemical compound with molecular formula C19H21NO4S and molecular weight 359.12 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)propan-1-amine
Also Known As: 1-(2-(Phenylthio)phenyl)-2-propylamine maleate
| Molecular Formula | C19H21NO4S |
|---|---|
| Molecular Weight | 359.12 g/mol |
| LogP | 3.6118 |
| Topological Polar Surface Area | 100.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.11914 |
| Heavy Atoms | 25 |
| Complexity | 700.37384 |
Chemical Identifiers
| CAS Number | 127876-81-7 |
|---|---|
| SMILES | CC(CN)C1=CC=CC=C1SC2=CC=CC=C2.C(=CC(=O)O)C(=O)O |
Product Overview
But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine (CAS 127876-81-7), with molecular formula C19H21NO4S and molecular weight 359.12 g/mol. IUPAC: but-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine.
Chemical Property Profile of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine
Property Insights of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine
The XLogP value of 3.6118 indicates that But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine 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)propan-1-amine. Following Lipinski's Rule of Five, But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine 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)propan-1-amine?
The CAS number of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine is 127876-81-7.
What is the molecular formula of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine?
The molecular formula of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine is C19H21NO4S.
What is the molecular weight of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine?
The molecular weight of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine is 359.12 g/mol.
Where can I buy But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine?
You can request a quote for But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine 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)propan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for But-2-enedioic acid;2-(2-phenylsulfanylphenyl)propan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.