5-Methyl-2-nitrobenzene-1,3-diol
TL;DR: 5-Methyl-2-nitrobenzene-1,3-diol (CAS 16533-36-1) 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.
5-methyl-2-nitrobenzene-1,3-diol
Also Known As: 5-methyl-2-nitrobenzene-1,3-diol, 2-nitroorcinol, 3,5-Dihydroxy-4-nitrotoluene, 2-Nitro-5-methylresorcinol, 5-Methyl-2-nitro-1,3-benzenediol
| Molecular Formula | C7H7NO4 |
|---|---|
| Molecular Weight | 169.04 g/mol |
| LogP | 2.5 |
| 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 | 167.0 |
Chemical Identifiers
| CAS Number | 16533-36-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)O)[N+](=O)[O-])O |
| InChIKey | VJUITVCKIWYTQX-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-nitrobenzene-1,3-diol (CAS 16533-36-1), with molecular formula C7H7NO4 and molecular weight 169.04 g/mol. IUPAC: 5-methyl-2-nitrobenzene-1,3-diol.
Chemical Property Profile of 5-Methyl-2-nitrobenzene-1,3-diol
Property Insights of 5-Methyl-2-nitrobenzene-1,3-diol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-nitrobenzene-1,3-diol. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-2-nitrobenzene-1,3-diol. Following Lipinski's Rule of Five, 5-Methyl-2-nitrobenzene-1,3-diol 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 5-Methyl-2-nitrobenzene-1,3-diol?
The CAS number of 5-Methyl-2-nitrobenzene-1,3-diol is 16533-36-1.
What is the molecular formula of 5-Methyl-2-nitrobenzene-1,3-diol?
The molecular formula of 5-Methyl-2-nitrobenzene-1,3-diol is C7H7NO4.
What is the molecular weight of 5-Methyl-2-nitrobenzene-1,3-diol?
The molecular weight of 5-Methyl-2-nitrobenzene-1,3-diol is 169.04 g/mol.
Where can I buy 5-Methyl-2-nitrobenzene-1,3-diol?
You can request a quote for 5-Methyl-2-nitrobenzene-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-nitrobenzene-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-nitrobenzene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.