3-Hydroxy-6-nitroisobenzofuran-1(3h)-one
TL;DR: 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one (CAS 77619-93-3) is a chemical compound with molecular formula C8H5NO5 and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-6-nitro-3H-2-benzofuran-1-one
Also Known As: 3-hydroxy-6-nitroisobenzofuran-1(3h)-one, 3-Hydroxy-6-nitro-2-benzofuran-1(3h)-one, 3-hydroxy-6-nitro-1-(3H)isobenzofuranone, 3-Hydroxy-6-nitro-1(3H)-isobenzofuranone, 3-hydroxy-6-nitro-3H-2-benzofuran-1-one
| Molecular Formula | C8H5NO5 |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.01677 |
| Heavy Atoms | 14 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 77619-93-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC2O |
| InChIKey | WUQPXBMPKNIUCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-6-nitroisobenzofuran-1(3h)-one (CAS 77619-93-3), with molecular formula C8H5NO5 and molecular weight 195.02 g/mol. IUPAC: 3-hydroxy-6-nitro-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one
Property Insights of 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one. Following Lipinski's Rule of Five, 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one has 1 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 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one?
The CAS number of 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one is 77619-93-3.
What is the molecular formula of 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one?
The molecular formula of 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one is C8H5NO5.
What is the molecular weight of 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one?
The molecular weight of 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one is 195.02 g/mol.
Where can I buy 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one?
You can request a quote for 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-6-nitroisobenzofuran-1(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.