Propionitrile, fumarate (1:1)
TL;DR: Propionitrile, fumarate (1:1) (CAS 352-96-5) is a chemical compound with molecular formula C7H10N2O4 and molecular weight 186.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-aminopropanenitrile;(Z)-but-2-enedioic acid
Also Known As: BAPN fumarate, Propionitrile, fumarate (1:1), Propanenitrile, (E)-2-butenedioate (1:1), 3-aminopropanenitrile; (Z)-but-2-enedioic acid
| Molecular Formula | C7H10N2O4 |
|---|---|
| Molecular Weight | 186.06 g/mol |
| LogP | -0.42942 |
| Topological Polar Surface Area | 124.41 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.06406 |
| Heavy Atoms | 13 |
| Complexity | 213.13727 |
Chemical Identifiers
| CAS Number | 352-96-5 |
|---|---|
| SMILES | C(CN)C#N.C(=C\C(=O)O)\C(=O)O |
Product Overview
Propionitrile, fumarate (1:1) (CAS 352-96-5), with molecular formula C7H10N2O4 and molecular weight 186.06 g/mol. IUPAC: 3-aminopropanenitrile;(Z)-but-2-enedioic acid.
Chemical Property Profile of Propionitrile, fumarate (1:1)
Property Insights of Propionitrile, fumarate (1:1)
The XLogP value of -0.42942 indicates that Propionitrile, fumarate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Propionitrile, fumarate (1:1). Following Lipinski's Rule of Five, Propionitrile, fumarate (1:1) 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 Propionitrile, fumarate (1:1)?
The CAS number of Propionitrile, fumarate (1:1) is 352-96-5.
What is the molecular formula of Propionitrile, fumarate (1:1)?
The molecular formula of Propionitrile, fumarate (1:1) is C7H10N2O4.
What is the molecular weight of Propionitrile, fumarate (1:1)?
The molecular weight of Propionitrile, fumarate (1:1) is 186.06 g/mol.
Where can I buy Propionitrile, fumarate (1:1)?
You can request a quote for Propionitrile, fumarate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionitrile, fumarate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Propionitrile, fumarate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.