![But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine structure](/static/products/1278/127876-76-0.webp)
But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine
TL;DR: But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine (CAS 127876-76-0) is a chemical compound with molecular formula C22H25NO4S and molecular weight 399.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine
Also Known As: N-(2-(Phenylthio)benzyl)piperidine maleate
| Molecular Formula | C22H25NO4S |
|---|---|
| Molecular Weight | 399.15 g/mol |
| LogP | 4.5355 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.15042 |
| Heavy Atoms | 28 |
| Complexity | 770.1336 |
Chemical Identifiers
| CAS Number | 127876-76-0 |
|---|---|
| SMILES | C1CCN(CC1)CC2=CC=CC=C2SC3=CC=CC=C3.C(=CC(=O)O)C(=O)O |
Product Overview
But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine (CAS 127876-76-0), with molecular formula C22H25NO4S and molecular weight 399.15 g/mol. IUPAC: but-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine.
Chemical Property Profile of But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine
Property Insights of But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine
The XLogP value of 4.5355 indicates that But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine 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;1-[(2-phenylsulfanylphenyl)methyl]piperidine. Following Lipinski's Rule of Five, But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine 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;1-[(2-phenylsulfanylphenyl)methyl]piperidine?
The CAS number of But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine is 127876-76-0.
What is the molecular formula of But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine?
The molecular formula of But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine is C22H25NO4S.
What is the molecular weight of But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine?
The molecular weight of But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine is 399.15 g/mol.
Where can I buy But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine?
You can request a quote for But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine 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;1-[(2-phenylsulfanylphenyl)methyl]piperidine?
Yes, KEHONG BIO provides custom synthesis services for But-2-enedioic acid;1-[(2-phenylsulfanylphenyl)methyl]piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.