2,7-Dinitro-4,5,9,10-tetrahydropyrene
TL;DR: 2,7-Dinitro-4,5,9,10-tetrahydropyrene (CAS 117929-13-2) is a chemical compound with molecular formula C16H12N2O4 and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dinitro-4,5,9,10-tetrahydropyrene
Also Known As: 2,7-Dinitro-4,5,9,10-tetrahydropyrene, 4,5,9,10-Tetrahydro-2,7-dinitropyrene, Pyrene, 4,5,9,10-tetrahydro-2,7-dinitro-, Pyrene,4,5,9,10-tetrahydro-2,7-dinitro-, Pyrene,4,5,9,10-tetrahydro-2,7-dinitro
| Molecular Formula | C16H12N2O4 |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 296.0797 |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 117929-13-2 |
|---|---|
| SMILES | C1CC2=CC(=CC3=C2C4=C(CC3)C=C(C=C41)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NHUOEGBUOIDRLN-UHFFFAOYSA-N |
Product Overview
2,7-Dinitro-4,5,9,10-tetrahydropyrene (CAS 117929-13-2), with molecular formula C16H12N2O4 and molecular weight 296.08 g/mol. IUPAC: 2,7-dinitro-4,5,9,10-tetrahydropyrene.
Chemical Property Profile of 2,7-Dinitro-4,5,9,10-tetrahydropyrene
Property Insights of 2,7-Dinitro-4,5,9,10-tetrahydropyrene
The XLogP value of 3.8 indicates that 2,7-Dinitro-4,5,9,10-tetrahydropyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-Dinitro-4,5,9,10-tetrahydropyrene. Following Lipinski's Rule of Five, 2,7-Dinitro-4,5,9,10-tetrahydropyrene 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 2,7-Dinitro-4,5,9,10-tetrahydropyrene?
The CAS number of 2,7-Dinitro-4,5,9,10-tetrahydropyrene is 117929-13-2.
What is the molecular formula of 2,7-Dinitro-4,5,9,10-tetrahydropyrene?
The molecular formula of 2,7-Dinitro-4,5,9,10-tetrahydropyrene is C16H12N2O4.
What is the molecular weight of 2,7-Dinitro-4,5,9,10-tetrahydropyrene?
The molecular weight of 2,7-Dinitro-4,5,9,10-tetrahydropyrene is 296.08 g/mol.
Where can I buy 2,7-Dinitro-4,5,9,10-tetrahydropyrene?
You can request a quote for 2,7-Dinitro-4,5,9,10-tetrahydropyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Dinitro-4,5,9,10-tetrahydropyrene?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Dinitro-4,5,9,10-tetrahydropyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.