![but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine structure](/static/products/1278/127876-74-8.webp)
but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine
TL;DR: but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine (CAS 127876-74-8) is a chemical compound with molecular formula C21H25NO4S and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine
Also Known As: N,N-Diethyl-2-(phenylthio)benzylamine maleate
| Molecular Formula | C21H25NO4S |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 4.3914 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 387.15042 |
| Heavy Atoms | 27 |
| Complexity | 726.8566 |
Chemical Identifiers
| CAS Number | 127876-74-8 |
|---|---|
| SMILES | CCN(CC)CC1=CC=CC=C1SC2=CC=CC=C2.C(=CC(=O)O)C(=O)O |
Product Overview
but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine (CAS 127876-74-8), with molecular formula C21H25NO4S and molecular weight 387.15 g/mol. IUPAC: but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine.
Chemical Property Profile of but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine
Property Insights of but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine
The XLogP value of 4.3914 indicates that but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine. Following Lipinski's Rule of Five, but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine has 2 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;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine?
The CAS number of but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine is 127876-74-8.
What is the molecular formula of but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine?
The molecular formula of but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine is C21H25NO4S.
What is the molecular weight of but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine?
The molecular weight of but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine is 387.15 g/mol.
Where can I buy but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine?
You can request a quote for but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]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;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine?
Yes, KEHONG BIO provides custom synthesis services for but-2-enedioic acid;N-ethyl-N-[(2-phenylsulfanylphenyl)methyl]ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.