4-Hydroxy-3-methoxy-2-nitrobenzonitrile
TL;DR: 4-Hydroxy-3-methoxy-2-nitrobenzonitrile (CAS 677335-32-9) is a chemical compound with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-methoxy-2-nitrobenzonitrile
Also Known As: 4-hydroxy-3-methoxy-2-nitrobenzonitrile, 4hydroxy-3-methoxy-2-nitrobenzonitrile, 4-Hydroxy-3-methoxy-2-nitro-benzonitrile
| Molecular Formula | C8H6N2O4 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 1.18068 |
| Topological Polar Surface Area | 96.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.03276 |
| Heavy Atoms | 14 |
| Complexity | 422.08484 |
Chemical Identifiers
| CAS Number | 677335-32-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1[N+](=O)[O-])C#N)O |
Product Overview
4-Hydroxy-3-methoxy-2-nitrobenzonitrile (CAS 677335-32-9), with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol. IUPAC: 4-hydroxy-3-methoxy-2-nitrobenzonitrile.
Chemical Property Profile of 4-Hydroxy-3-methoxy-2-nitrobenzonitrile
Property Insights of 4-Hydroxy-3-methoxy-2-nitrobenzonitrile
The XLogP value of 1.18068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-methoxy-2-nitrobenzonitrile. The TPSA of 96.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-3-methoxy-2-nitrobenzonitrile. Following Lipinski's Rule of Five, 4-Hydroxy-3-methoxy-2-nitrobenzonitrile 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-Hydroxy-3-methoxy-2-nitrobenzonitrile?
The CAS number of 4-Hydroxy-3-methoxy-2-nitrobenzonitrile is 677335-32-9.
What is the molecular formula of 4-Hydroxy-3-methoxy-2-nitrobenzonitrile?
The molecular formula of 4-Hydroxy-3-methoxy-2-nitrobenzonitrile is C8H6N2O4.
What is the molecular weight of 4-Hydroxy-3-methoxy-2-nitrobenzonitrile?
The molecular weight of 4-Hydroxy-3-methoxy-2-nitrobenzonitrile is 194.03 g/mol.
Where can I buy 4-Hydroxy-3-methoxy-2-nitrobenzonitrile?
You can request a quote for 4-Hydroxy-3-methoxy-2-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3-methoxy-2-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-methoxy-2-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.