Pyrene; 2,4,7-trinitrofluoren-9-one
TL;DR: Pyrene; 2,4,7-trinitrofluoren-9-one (CAS 3918-78-3) is a chemical compound with molecular formula C29H15N3O7 and molecular weight 517.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrene;2,4,7-trinitrofluoren-9-one
Also Known As: 3-Isocamphylcyclohexanon, pyrene; 2,4,7-trinitrofluoren-9-one, pyrene,2,4,7-trinitrofluoren-9-one, 2,4,7-Trinitro-9H-fluoren-9-one--pyrene (1/1), 9H-Fluoren-9-one,4,7-trinitro-, compd. with pyrene (1:1)
| Molecular Formula | C29H15N3O7 |
|---|---|
| Molecular Weight | 517.09 g/mol |
| LogP | 7.2066 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 517.091 |
| Heavy Atoms | 39 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 3918-78-3 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SIGROPCIDIOMCL-UHFFFAOYSA-N |
Product Overview
Pyrene; 2,4,7-trinitrofluoren-9-one (CAS 3918-78-3), with molecular formula C29H15N3O7 and molecular weight 517.09 g/mol. IUPAC: pyrene;2,4,7-trinitrofluoren-9-one.
Chemical Property Profile of Pyrene; 2,4,7-trinitrofluoren-9-one
Property Insights of Pyrene; 2,4,7-trinitrofluoren-9-one
The XLogP value of 7.2066 indicates that Pyrene; 2,4,7-trinitrofluoren-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting Pyrene; 2,4,7-trinitrofluoren-9-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrene; 2,4,7-trinitrofluoren-9-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrene; 2,4,7-trinitrofluoren-9-one?
The CAS number of Pyrene; 2,4,7-trinitrofluoren-9-one is 3918-78-3.
What is the molecular formula of Pyrene; 2,4,7-trinitrofluoren-9-one?
The molecular formula of Pyrene; 2,4,7-trinitrofluoren-9-one is C29H15N3O7.
What is the molecular weight of Pyrene; 2,4,7-trinitrofluoren-9-one?
The molecular weight of Pyrene; 2,4,7-trinitrofluoren-9-one is 517.09 g/mol.
Where can I buy Pyrene; 2,4,7-trinitrofluoren-9-one?
You can request a quote for Pyrene; 2,4,7-trinitrofluoren-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrene; 2,4,7-trinitrofluoren-9-one?
Yes, KEHONG BIO provides custom synthesis services for Pyrene; 2,4,7-trinitrofluoren-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.