Nitrocatechol
TL;DR: Nitrocatechol (CAS 30136-15-3) is a chemical compound with molecular formula C6H5NO4 and molecular weight 155.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrobenzene-1,2-diol
Also Known As: 3-nitrobenzene-1,2-diol, 3-Nitrocatechol, nitrocatechol, 3-nitro-1,2-benzenediol, nitrobenzenediol
| Molecular Formula | C6H5NO4 |
|---|---|
| Molecular Weight | 155.02 g/mol |
| LogP | 1.006 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.02185 |
| Heavy Atoms | 11 |
| Complexity | 296.6338 |
Chemical Identifiers
| CAS Number | 30136-15-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)O)O)[N+](=O)[O-] |
Product Overview
Nitrocatechol (CAS 30136-15-3), with molecular formula C6H5NO4 and molecular weight 155.02 g/mol. IUPAC: 3-nitrobenzene-1,2-diol.
Chemical Property Profile of Nitrocatechol
Property Insights of Nitrocatechol
The XLogP value of 1.006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitrocatechol. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrocatechol. Following Lipinski's Rule of Five, 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 Nitrocatechol?
The CAS number of Nitrocatechol is 30136-15-3.
What is the molecular formula of Nitrocatechol?
The molecular formula of Nitrocatechol is C6H5NO4.
What is the molecular weight of Nitrocatechol?
The molecular weight of Nitrocatechol is 155.02 g/mol.
Where can I buy Nitrocatechol?
You can request a quote for Nitrocatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrocatechol?
Yes, KEHONG BIO provides custom synthesis services for Nitrocatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.