Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1)
TL;DR: Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1) (CAS 134480-50-5) is a chemical compound with molecular formula C13H19NO4S and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-butylsulfanylethyl)pyridine;oxalic acid
Also Known As: 4-(2-(Butylthio)ethyl)pyridine ethanedioate (1:1), Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1), 4-(2-butylsulfanylethyl)pyridine; oxalic acid, Oxalic acid--4-[2-(butylsulfanyl)ethyl]pyridine (1/1), RefChem:376787
| Molecular Formula | C13H19NO4S |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 2.313 |
| Topological Polar Surface Area | 87.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.1035 |
| Heavy Atoms | 19 |
| Complexity | 358.16577 |
Chemical Identifiers
| CAS Number | 134480-50-5 |
|---|---|
| SMILES | CCCCSCCC1=CC=NC=C1.C(=O)(C(=O)O)O |
Product Overview
Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1) (CAS 134480-50-5), with molecular formula C13H19NO4S and molecular weight 285.10 g/mol. IUPAC: 4-(2-butylsulfanylethyl)pyridine;oxalic acid.
Chemical Property Profile of Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1)
Property Insights of Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1)
The XLogP value of 2.313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1). The TPSA of 87.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1). Following Lipinski's Rule of Five, Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1) 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 Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1)?
The CAS number of Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1) is 134480-50-5.
What is the molecular formula of Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1)?
The molecular formula of Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1) is C13H19NO4S.
What is the molecular weight of Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1)?
The molecular weight of Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1) is 285.10 g/mol.
Where can I buy Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1)?
You can request a quote for Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 4-(2-(butylthio)ethyl)-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.