2,7-Dinitrophenanthrene
TL;DR: 2,7-Dinitrophenanthrene (CAS 5047-01-8) is a chemical compound with molecular formula C14H8N2O4 and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dinitrophenanthrene
Also Known As: 2,7-Dinitrophenanthrene, Phenanthrene, 2,7-dinitro-, J2.104.063K, RefChem:197474, BRN 2140751
| Molecular Formula | C14H8N2O4 |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.0484 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 5047-01-8 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C=CC(=C3)[N+](=O)[O-])C=C1[N+](=O)[O-] |
| InChIKey | UVKYUZYYRLXWTO-UHFFFAOYSA-N |
Product Overview
2,7-Dinitrophenanthrene (CAS 5047-01-8), with molecular formula C14H8N2O4 and molecular weight 268.05 g/mol. IUPAC: 2,7-dinitrophenanthrene.
Chemical Property Profile of 2,7-Dinitrophenanthrene
Property Insights of 2,7-Dinitrophenanthrene
The XLogP value of 4.1 indicates that 2,7-Dinitrophenanthrene 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-Dinitrophenanthrene. Following Lipinski's Rule of Five, 2,7-Dinitrophenanthrene 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-Dinitrophenanthrene?
The CAS number of 2,7-Dinitrophenanthrene is 5047-01-8.
What is the molecular formula of 2,7-Dinitrophenanthrene?
The molecular formula of 2,7-Dinitrophenanthrene is C14H8N2O4.
What is the molecular weight of 2,7-Dinitrophenanthrene?
The molecular weight of 2,7-Dinitrophenanthrene is 268.05 g/mol.
Where can I buy 2,7-Dinitrophenanthrene?
You can request a quote for 2,7-Dinitrophenanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Dinitrophenanthrene?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Dinitrophenanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.