Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1)
TL;DR: Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1) (CAS 63589-14-0) is a chemical compound with molecular formula C26H38N4O4S and molecular weight 502.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-(N-butylanilino)propanenitrile);sulfuric acid
Also Known As: 3-[butyl(phenyl)amino]propanenitrile sulfate(2:1), Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1), C13H18N2.1/2H2O4S, C13-H18-N2.1/2H2-O4-S, 3-(N-butylanilino)propanenitrile; sulfuric acid
| Molecular Formula | C26H38N4O4S |
|---|---|
| Molecular Weight | 502.26 g/mol |
| LogP | 5.76 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 502.26138 |
| Heavy Atoms | 35 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 63589-14-0 |
|---|---|
| SMILES | CCCCN(CCC#N)C1=CC=CC=C1.CCCCN(CCC#N)C1=CC=CC=C1.OS(=O)(=O)O |
| InChIKey | NHEDRLYKVGFJPZ-UHFFFAOYSA-N |
Product Overview
Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1) (CAS 63589-14-0), with molecular formula C26H38N4O4S and molecular weight 502.26 g/mol. IUPAC: bis(3-(N-butylanilino)propanenitrile);sulfuric acid.
Chemical Property Profile of Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1)
Property Insights of Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1)
The XLogP value of 5.76 indicates that Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1). Following Lipinski's Rule of Five, Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1) has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1)?
The CAS number of Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1) is 63589-14-0.
What is the molecular formula of Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1)?
The molecular formula of Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1) is C26H38N4O4S.
What is the molecular weight of Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1)?
The molecular weight of Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1) is 502.26 g/mol.
Where can I buy Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1)?
You can request a quote for Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-(butylphenylamino)-, sulfate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.