硝基间苯三酚
TL;DR: 硝基间苯三酚 (CAS 16600-92-3) is a chemical compound with molecular formula C6H5NO5 and molecular weight 171.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硝基间苯三酚
2-nitrobenzene-1,3,5-triol
Also Known As: 2-nitrobenzene-1,3,5-triol, 2-Nitrophloroglucinol, Nitrophloroglucinol, 2,4,6-trihydroxynitrobenzene, 1-Nitrophloroglucinol
| Molecular Formula | C6H5NO5 |
|---|---|
| Molecular Weight | 171.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.01677 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 16600-92-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)[N+](=O)[O-])O)O |
| InChIKey | QSVQZFVXAUGEMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硝基间苯三酚 (CAS 16600-92-3), with molecular formula C6H5NO5 and molecular weight 171.02 g/mol. IUPAC: 2-nitrobenzene-1,3,5-triol.
Chemical Property Profile of 硝基间苯三酚
Property Insights of 硝基间苯三酚
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硝基间苯三酚. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 硝基间苯三酚. Following Lipinski's Rule of Five, 硝基间苯三酚 has 3 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 硝基间苯三酚?
The CAS number of 硝基间苯三酚 is 16600-92-3.
What is the molecular formula of 硝基间苯三酚?
The molecular formula of 硝基间苯三酚 is C6H5NO5.
What is the molecular weight of 硝基间苯三酚?
The molecular weight of 硝基间苯三酚 is 171.02 g/mol.
Where can I buy 硝基间苯三酚?
You can request a quote for 硝基间苯三酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硝基间苯三酚?
Yes, KEHONG BIO provides custom synthesis services for 硝基间苯三酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.