4,5-Pyrenedione, 3-nitro-
TL;DR: 4,5-Pyrenedione, 3-nitro- (CAS 102791-32-2) is a chemical compound with molecular formula C16H7NO4 and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitropyrene-4,5-dione
Also Known As: 4,5-Pyrenedione, 3-nitro-, 3-Nitropyrene-4,5-quinone, 1-Nitro-9,10-pyrenedione, 3-nitropyrene-4,5-dione, 1-Nitropyrene-9,10-quinone
| Molecular Formula | C16H7NO4 |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 277.0375 |
| Heavy Atoms | 21 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 102791-32-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=O)C(=O)C4=C(C=CC(=C34)C=C2)[N+](=O)[O-] |
| InChIKey | MQXQQBKHBJHLST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Pyrenedione, 3-nitro- (CAS 102791-32-2), with molecular formula C16H7NO4 and molecular weight 277.04 g/mol. IUPAC: 3-nitropyrene-4,5-dione.
Chemical Property Profile of 4,5-Pyrenedione, 3-nitro-
Property Insights of 4,5-Pyrenedione, 3-nitro-
The XLogP value of 3.3 indicates that 4,5-Pyrenedione, 3-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Pyrenedione, 3-nitro-. Following Lipinski's Rule of Five, 4,5-Pyrenedione, 3-nitro- 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 4,5-Pyrenedione, 3-nitro-?
The CAS number of 4,5-Pyrenedione, 3-nitro- is 102791-32-2.
What is the molecular formula of 4,5-Pyrenedione, 3-nitro-?
The molecular formula of 4,5-Pyrenedione, 3-nitro- is C16H7NO4.
What is the molecular weight of 4,5-Pyrenedione, 3-nitro-?
The molecular weight of 4,5-Pyrenedione, 3-nitro- is 277.04 g/mol.
Where can I buy 4,5-Pyrenedione, 3-nitro-?
You can request a quote for 4,5-Pyrenedione, 3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Pyrenedione, 3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Pyrenedione, 3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.