4-Methoxy-3-nitrobenzonitrile
TL;DR: 4-Methoxy-3-nitrobenzonitrile (CAS 33224-23-6) is a chemical compound with molecular formula C8H6N2O3 and molecular weight 178.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-nitrobenzonitrile
Also Known As: 4-Methoxy-3-nitrobenzonitrile, 3-Nitro-4-methoxybenzonitrile, 4-Methoxy-3-nitro-benzonitrile, Benzonitrile, 4-methoxy-3-nitro-, 5-Cyano-2-methoxynitrobenzene
| Molecular Formula | C8H6N2O3 |
|---|---|
| Molecular Weight | 178.04 g/mol |
| LogP | 1.47508 |
| Topological Polar Surface Area | 76.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.03784 |
| Heavy Atoms | 13 |
| Complexity | 381.4658 |
Chemical Identifiers
| CAS Number | 33224-23-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C#N)[N+](=O)[O-] |
Product Overview
4-Methoxy-3-nitrobenzonitrile (CAS 33224-23-6), with molecular formula C8H6N2O3 and molecular weight 178.04 g/mol. IUPAC: 4-methoxy-3-nitrobenzonitrile.
Chemical Property Profile of 4-Methoxy-3-nitrobenzonitrile
Property Insights of 4-Methoxy-3-nitrobenzonitrile
The XLogP value of 1.47508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-3-nitrobenzonitrile. The TPSA of 76.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-3-nitrobenzonitrile. Following Lipinski's Rule of Five, 4-Methoxy-3-nitrobenzonitrile 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-Methoxy-3-nitrobenzonitrile?
The CAS number of 4-Methoxy-3-nitrobenzonitrile is 33224-23-6.
What is the molecular formula of 4-Methoxy-3-nitrobenzonitrile?
The molecular formula of 4-Methoxy-3-nitrobenzonitrile is C8H6N2O3.
What is the molecular weight of 4-Methoxy-3-nitrobenzonitrile?
The molecular weight of 4-Methoxy-3-nitrobenzonitrile is 178.04 g/mol.
Where can I buy 4-Methoxy-3-nitrobenzonitrile?
You can request a quote for 4-Methoxy-3-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-3-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-3-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.