4-Methyl-3,5-dinitrobenzonitrile
TL;DR: 4-Methyl-3,5-dinitrobenzonitrile (CAS 948-30-1) is a chemical compound with molecular formula C8H5N3O4 and molecular weight 207.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3,5-dinitrobenzonitrile
Also Known As: 4-methyl-3,5-dinitrobenzonitrile, 4-cyano-2,6-dinitrotoluene, 3-methyl-2,6-dinitrobenzonitrile, 4-methyl-3,5-dinitrobenzenecarbonitrile
| Molecular Formula | C8H5N3O4 |
|---|---|
| Molecular Weight | 207.03 g/mol |
| LogP | 1.6831 |
| Topological Polar Surface Area | 110.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.028 |
| Heavy Atoms | 15 |
| Complexity | 454.14554 |
Chemical Identifiers
| CAS Number | 948-30-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])C#N)[N+](=O)[O-] |
Product Overview
4-Methyl-3,5-dinitrobenzonitrile (CAS 948-30-1), with molecular formula C8H5N3O4 and molecular weight 207.03 g/mol. IUPAC: 4-methyl-3,5-dinitrobenzonitrile.
Chemical Property Profile of 4-Methyl-3,5-dinitrobenzonitrile
Property Insights of 4-Methyl-3,5-dinitrobenzonitrile
The XLogP value of 1.6831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3,5-dinitrobenzonitrile. The TPSA of 110.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3,5-dinitrobenzonitrile. Following Lipinski's Rule of Five, 4-Methyl-3,5-dinitrobenzonitrile 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 4-Methyl-3,5-dinitrobenzonitrile?
The CAS number of 4-Methyl-3,5-dinitrobenzonitrile is 948-30-1.
What is the molecular formula of 4-Methyl-3,5-dinitrobenzonitrile?
The molecular formula of 4-Methyl-3,5-dinitrobenzonitrile is C8H5N3O4.
What is the molecular weight of 4-Methyl-3,5-dinitrobenzonitrile?
The molecular weight of 4-Methyl-3,5-dinitrobenzonitrile is 207.03 g/mol.
Where can I buy 4-Methyl-3,5-dinitrobenzonitrile?
You can request a quote for 4-Methyl-3,5-dinitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3,5-dinitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3,5-dinitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.