Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)
TL;DR: Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) (CAS 5015-38-3) is a chemical compound with molecular formula C3H4BaNO4P and molecular weight 286.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);2-cyanoethyl phosphate
Also Known As: Barium 2-cyanoethyl phosphate, Barium 2-Cyanoethylphosphate, barium(2+);2-cyanoethyl phosphate, barium cyanoethyl phosphate, 2-Cyanoethyl Phosphate Barium
| Molecular Formula | C3H4BaNO4P |
|---|---|
| Molecular Weight | 286.89 g/mol |
| LogP | -1.64 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.89304 |
| Heavy Atoms | 10 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 5015-38-3 |
|---|---|
| SMILES | C(COP(=O)([O-])[O-])C#N.[Ba+2] |
| InChIKey | MRQIDZJGQMWVQR-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) (CAS 5015-38-3), with molecular formula C3H4BaNO4P and molecular weight 286.89 g/mol. IUPAC: barium(2+);2-cyanoethyl phosphate.
Chemical Property Profile of Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)
Property Insights of Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)
The XLogP value of -1.64 indicates that Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1). Following Lipinski's Rule of Five, Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) has 0 hydrogen bond donor(s) and 5 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 Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)?
The CAS number of Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) is 5015-38-3.
What is the molecular formula of Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)?
The molecular formula of Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) is C3H4BaNO4P.
What is the molecular weight of Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)?
The molecular weight of Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) is 286.89 g/mol.
Where can I buy Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)?
You can request a quote for Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.