4-硝基亚苄基丙二腈
TL;DR: 4-硝基亚苄基丙二腈 (CAS 2700-23-4) is a chemical compound with molecular formula C10H5N3O2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基亚苄基丙二腈
2-[(4-nitrophenyl)methylidene]propanedinitrile
Also Known As: 2-(4-Nitrobenzylidene)malononitrile, 4-Nitrobenzylidenemalononitrile, Dicyano-p-nitrostyrene, 2-[(4-nitrophenyl)methylidene]propanedinitrile, 2-[(4-nitrophenyl)methylene]malononitrile
| Molecular Formula | C10H5N3O2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.03818 |
| Heavy Atoms | 15 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 2700-23-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)[N+](=O)[O-] |
| InChIKey | BDTIGNGBIBFXSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基亚苄基丙二腈 (CAS 2700-23-4), with molecular formula C10H5N3O2 and molecular weight 199.04 g/mol. IUPAC: 2-[(4-nitrophenyl)methylidene]propanedinitrile.
Chemical Property Profile of 4-硝基亚苄基丙二腈
Property Insights of 4-硝基亚苄基丙二腈
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基亚苄基丙二腈. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基亚苄基丙二腈. Following Lipinski's Rule of Five, 4-硝基亚苄基丙二腈 has 0 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 4-硝基亚苄基丙二腈?
The CAS number of 4-硝基亚苄基丙二腈 is 2700-23-4.
What is the molecular formula of 4-硝基亚苄基丙二腈?
The molecular formula of 4-硝基亚苄基丙二腈 is C10H5N3O2.
What is the molecular weight of 4-硝基亚苄基丙二腈?
The molecular weight of 4-硝基亚苄基丙二腈 is 199.04 g/mol.
Where can I buy 4-硝基亚苄基丙二腈?
You can request a quote for 4-硝基亚苄基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基亚苄基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基亚苄基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.