2-硝基-1,3-苯二酚
TL;DR: 2-硝基-1,3-苯二酚 (CAS 601-89-8) 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.
2-硝基-1,3-苯二酚
2-nitrobenzene-1,3-diol
Also Known As: 2-NITRORESORCINOL, 2-nitrobenzene-1,3-diol, nitroresorcinol, Resorcinol, 2-nitro-, 2-Nitro-1,3-benzenediol
| Molecular Formula | C6H5NO4 |
|---|---|
| Molecular Weight | 155.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.02185 |
| Heavy Atoms | 11 |
| Complexity | 145.0 |
| Vapor Pressure | 0.0000227 [mmHg] |
Chemical Identifiers
| CAS Number | 601-89-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)O)[N+](=O)[O-])O |
| InChIKey | ZLCPKMIJYMHZMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-硝基-1,3-苯二酚 (CAS 601-89-8), with molecular formula C6H5NO4 and molecular weight 155.02 g/mol. IUPAC: 2-nitrobenzene-1,3-diol.
Chemical Property Profile of 2-硝基-1,3-苯二酚
Property Insights of 2-硝基-1,3-苯二酚
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-硝基-1,3-苯二酚. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-硝基-1,3-苯二酚. Following Lipinski's Rule of Five, 2-硝基-1,3-苯二酚 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 2-硝基-1,3-苯二酚?
The CAS number of 2-硝基-1,3-苯二酚 is 601-89-8.
What is the molecular formula of 2-硝基-1,3-苯二酚?
The molecular formula of 2-硝基-1,3-苯二酚 is C6H5NO4.
What is the molecular weight of 2-硝基-1,3-苯二酚?
The molecular weight of 2-硝基-1,3-苯二酚 is 155.02 g/mol.
Where can I buy 2-硝基-1,3-苯二酚?
You can request a quote for 2-硝基-1,3-苯二酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硝基-1,3-苯二酚?
Yes, KEHONG BIO provides custom synthesis services for 2-硝基-1,3-苯二酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.