3-Nitro-1,2-naphthoquinone
TL;DR: 3-Nitro-1,2-naphthoquinone (CAS 7474-84-2) is a chemical compound with molecular formula C10H5NO4 and molecular weight 203.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitronaphthalene-1,2-dione
Also Known As: 3-nitro-1,2-naphthoquinone, 3-nitronaphthalene-1,2-dione, NCI60_003760
| Molecular Formula | C10H5NO4 |
|---|---|
| Molecular Weight | 203.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.02185 |
| Heavy Atoms | 15 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 7474-84-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)C2=O)[N+](=O)[O-] |
| InChIKey | YNWHDIBCLPJLPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitro-1,2-naphthoquinone (CAS 7474-84-2), with molecular formula C10H5NO4 and molecular weight 203.02 g/mol. IUPAC: 3-nitronaphthalene-1,2-dione.
Chemical Property Profile of 3-Nitro-1,2-naphthoquinone
Property Insights of 3-Nitro-1,2-naphthoquinone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-1,2-naphthoquinone. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-1,2-naphthoquinone. Following Lipinski's Rule of Five, 3-Nitro-1,2-naphthoquinone has 0 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 3-Nitro-1,2-naphthoquinone?
The CAS number of 3-Nitro-1,2-naphthoquinone is 7474-84-2.
What is the molecular formula of 3-Nitro-1,2-naphthoquinone?
The molecular formula of 3-Nitro-1,2-naphthoquinone is C10H5NO4.
What is the molecular weight of 3-Nitro-1,2-naphthoquinone?
The molecular weight of 3-Nitro-1,2-naphthoquinone is 203.02 g/mol.
Where can I buy 3-Nitro-1,2-naphthoquinone?
You can request a quote for 3-Nitro-1,2-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-1,2-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-1,2-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.