2,3-Bis(2-nitrophenyl)propanenitrile
TL;DR: 2,3-Bis(2-nitrophenyl)propanenitrile (CAS 112181-38-1) is a chemical compound with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(2-nitrophenyl)propanenitrile
Also Known As: 2,3-bis(2-nitrophenyl)propanenitrile, 2,3-bis(2-nitrophenyl)-propionitrile, 1,2,4-Thiadiazol-5-amine,3-bromo-N-(4-bromophenyl)
| Molecular Formula | C15H11N3O4 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 3.35288 |
| Topological Polar Surface Area | 110.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.07495 |
| Heavy Atoms | 22 |
| Complexity | 767.37805 |
Chemical Identifiers
| CAS Number | 112181-38-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(C#N)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,3-Bis(2-nitrophenyl)propanenitrile (CAS 112181-38-1), with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol. IUPAC: 2,3-bis(2-nitrophenyl)propanenitrile.
Chemical Property Profile of 2,3-Bis(2-nitrophenyl)propanenitrile
Property Insights of 2,3-Bis(2-nitrophenyl)propanenitrile
The XLogP value of 3.35288 indicates that 2,3-Bis(2-nitrophenyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Bis(2-nitrophenyl)propanenitrile. Following Lipinski's Rule of Five, 2,3-Bis(2-nitrophenyl)propanenitrile 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 2,3-Bis(2-nitrophenyl)propanenitrile?
The CAS number of 2,3-Bis(2-nitrophenyl)propanenitrile is 112181-38-1.
What is the molecular formula of 2,3-Bis(2-nitrophenyl)propanenitrile?
The molecular formula of 2,3-Bis(2-nitrophenyl)propanenitrile is C15H11N3O4.
What is the molecular weight of 2,3-Bis(2-nitrophenyl)propanenitrile?
The molecular weight of 2,3-Bis(2-nitrophenyl)propanenitrile is 297.07 g/mol.
Where can I buy 2,3-Bis(2-nitrophenyl)propanenitrile?
You can request a quote for 2,3-Bis(2-nitrophenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Bis(2-nitrophenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Bis(2-nitrophenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.