5-Hydroxy-4-nitroguaiacol
TL;DR: 5-Hydroxy-4-nitroguaiacol (CAS 100960-04-1) is a chemical compound with molecular formula C7H7NO5 and molecular weight 185.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-6-nitrobenzene-1,3-diol
Also Known As: 5-Hydroxy-4-nitroguaiacol, 4-methoxy-6-nitrobenzene-1,3-diol, 4-Methoxy-6-nitro-1,3-benzenediol, 4-Methoxy-6-nitro-1,3-benzenediol #
| Molecular Formula | C7H7NO5 |
|---|---|
| Molecular Weight | 185.03 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.03242 |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 100960-04-1 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)[N+](=O)[O-])O)O |
| InChIKey | KSBZGMNJFIKZGT-UHFFFAOYSA-N |
Product Overview
5-Hydroxy-4-nitroguaiacol (CAS 100960-04-1), with molecular formula C7H7NO5 and molecular weight 185.03 g/mol. IUPAC: 4-methoxy-6-nitrobenzene-1,3-diol.
Chemical Property Profile of 5-Hydroxy-4-nitroguaiacol
Property Insights of 5-Hydroxy-4-nitroguaiacol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-4-nitroguaiacol. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-4-nitroguaiacol. Following Lipinski's Rule of Five, 5-Hydroxy-4-nitroguaiacol has 2 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 5-Hydroxy-4-nitroguaiacol?
The CAS number of 5-Hydroxy-4-nitroguaiacol is 100960-04-1.
What is the molecular formula of 5-Hydroxy-4-nitroguaiacol?
The molecular formula of 5-Hydroxy-4-nitroguaiacol is C7H7NO5.
What is the molecular weight of 5-Hydroxy-4-nitroguaiacol?
The molecular weight of 5-Hydroxy-4-nitroguaiacol is 185.03 g/mol.
Where can I buy 5-Hydroxy-4-nitroguaiacol?
You can request a quote for 5-Hydroxy-4-nitroguaiacol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-4-nitroguaiacol?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-4-nitroguaiacol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.