2-Methyl-4-nitroresorcinol
TL;DR: 2-Methyl-4-nitroresorcinol (CAS 6628-56-4) is a chemical compound with molecular formula C7H7NO4 and molecular weight 169.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-nitrobenzene-1,3-diol
Also Known As: 2-methyl-4-nitrobenzene-1,3-diol, 2-methyl-4-nitroresorcinol, 4-Nitro-2-methylresorcinol, 2-methyl-4-nitro-1,3-benzenediol, 2-Methyl-4-nitro-benzene-1,3-diol
| Molecular Formula | C7H7NO4 |
|---|---|
| Molecular Weight | 169.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.0375 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 6628-56-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1O)[N+](=O)[O-])O |
| InChIKey | XUJPAYGWMCNRTA-UHFFFAOYSA-N |
Product Overview
2-Methyl-4-nitroresorcinol (CAS 6628-56-4), with molecular formula C7H7NO4 and molecular weight 169.04 g/mol. IUPAC: 2-methyl-4-nitrobenzene-1,3-diol.
Chemical Property Profile of 2-Methyl-4-nitroresorcinol
Property Insights of 2-Methyl-4-nitroresorcinol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-nitroresorcinol. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-nitroresorcinol. Following Lipinski's Rule of Five, 2-Methyl-4-nitroresorcinol has 2 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 2-Methyl-4-nitroresorcinol?
The CAS number of 2-Methyl-4-nitroresorcinol is 6628-56-4.
What is the molecular formula of 2-Methyl-4-nitroresorcinol?
The molecular formula of 2-Methyl-4-nitroresorcinol is C7H7NO4.
What is the molecular weight of 2-Methyl-4-nitroresorcinol?
The molecular weight of 2-Methyl-4-nitroresorcinol is 169.04 g/mol.
Where can I buy 2-Methyl-4-nitroresorcinol?
You can request a quote for 2-Methyl-4-nitroresorcinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-nitroresorcinol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-nitroresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.