3,6-Dinitronaphthalic anhydride
TL;DR: 3,6-Dinitronaphthalic anhydride (CAS 3807-80-5) is a chemical compound with molecular formula C12H4N2O7 and molecular weight 288.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,11-dinitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
Also Known As: 3,6-Dinitronaphthalic anhydride, 5,8-Dinitro-1H,3H-benzo[de]isochromene-1,3-dione, 3,6-dinitro-1,8-naphthalic anhydride, 3,6-DINITRO-1,8-NAPHTHALENEDICARBOXYLICANHYDRIDE, 7,11-Dinitro-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
| Molecular Formula | C12H4N2O7 |
|---|---|
| Molecular Weight | 288.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 288.00186 |
| Heavy Atoms | 21 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 3807-80-5 |
|---|---|
| SMILES | C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)OC3=O)[N+](=O)[O-] |
| InChIKey | LHFDXTKVBLMYJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Dinitronaphthalic anhydride (CAS 3807-80-5), with molecular formula C12H4N2O7 and molecular weight 288.00 g/mol. IUPAC: 7,11-dinitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione.
Chemical Property Profile of 3,6-Dinitronaphthalic anhydride
Property Insights of 3,6-Dinitronaphthalic anhydride
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dinitronaphthalic anhydride. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Dinitronaphthalic anhydride. Following Lipinski's Rule of Five, 3,6-Dinitronaphthalic anhydride has 0 hydrogen bond donor(s) and 7 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 3,6-Dinitronaphthalic anhydride?
The CAS number of 3,6-Dinitronaphthalic anhydride is 3807-80-5.
What is the molecular formula of 3,6-Dinitronaphthalic anhydride?
The molecular formula of 3,6-Dinitronaphthalic anhydride is C12H4N2O7.
What is the molecular weight of 3,6-Dinitronaphthalic anhydride?
The molecular weight of 3,6-Dinitronaphthalic anhydride is 288.00 g/mol.
Where can I buy 3,6-Dinitronaphthalic anhydride?
You can request a quote for 3,6-Dinitronaphthalic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dinitronaphthalic anhydride?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dinitronaphthalic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.