4-Anilino-5-nitrobenzene-1,2-dicarbonitrile
TL;DR: 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile (CAS 355435-71-1) is a chemical compound with molecular formula C14H8N4O2 and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-anilino-5-nitrobenzene-1,2-dicarbonitrile
Also Known As: 4-nitro-5-(phenylamino)phthalonitrile, 4-anilino-5-nitrobenzene-1,2-dicarbonitrile, 4-Nitro-5-(phenylamino)-1,2-benzenedicarbonitrile, 4-nitro-5-(phenylamino)benzene-1,2-dicarbonitrile
| Molecular Formula | C14H8N4O2 |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 3.08176 |
| Topological Polar Surface Area | 102.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.06473 |
| Heavy Atoms | 20 |
| Complexity | 742.2497 |
Chemical Identifiers
| CAS Number | 355435-71-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-] |
Product Overview
4-Anilino-5-nitrobenzene-1,2-dicarbonitrile (CAS 355435-71-1), with molecular formula C14H8N4O2 and molecular weight 264.06 g/mol. IUPAC: 4-anilino-5-nitrobenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile
Property Insights of 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile
The XLogP value of 3.08176 indicates that 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile has 1 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 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile?
The CAS number of 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile is 355435-71-1.
What is the molecular formula of 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile?
The molecular formula of 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile is C14H8N4O2.
What is the molecular weight of 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile?
The molecular weight of 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile is 264.06 g/mol.
Where can I buy 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile?
You can request a quote for 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Anilino-5-nitrobenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.