4-Methyl-5-nitrocatechol
TL;DR: 4-Methyl-5-nitrocatechol (CAS 68906-21-8) 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.
4-methyl-5-nitrobenzene-1,2-diol
Also Known As: 4-Methyl-5-nitrocatechol, 4-methyl-5-nitrobenzene-1,2-diol, 5-Nitro-4-homopyrocatechol, zlchem 1193, 4-Nitro-5-methylcatechol
| Molecular Formula | C7H7NO4 |
|---|---|
| Molecular Weight | 169.04 g/mol |
| LogP | 1.31442 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.0375 |
| Heavy Atoms | 12 |
| Complexity | 334.4234 |
Chemical Identifiers
| CAS Number | 68906-21-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])O)O |
Product Overview
4-Methyl-5-nitrocatechol (CAS 68906-21-8), with molecular formula C7H7NO4 and molecular weight 169.04 g/mol. IUPAC: 4-methyl-5-nitrobenzene-1,2-diol.
Chemical Property Profile of 4-Methyl-5-nitrocatechol
Property Insights of 4-Methyl-5-nitrocatechol
The XLogP value of 1.31442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-5-nitrocatechol. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-5-nitrocatechol. Following Lipinski's Rule of Five, 4-Methyl-5-nitrocatechol 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 4-Methyl-5-nitrocatechol?
The CAS number of 4-Methyl-5-nitrocatechol is 68906-21-8.
What is the molecular formula of 4-Methyl-5-nitrocatechol?
The molecular formula of 4-Methyl-5-nitrocatechol is C7H7NO4.
What is the molecular weight of 4-Methyl-5-nitrocatechol?
The molecular weight of 4-Methyl-5-nitrocatechol is 169.04 g/mol.
Where can I buy 4-Methyl-5-nitrocatechol?
You can request a quote for 4-Methyl-5-nitrocatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-5-nitrocatechol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-5-nitrocatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.