1,5,10-Trinitrophenanthrene
TL;DR: 1,5,10-Trinitrophenanthrene (CAS 159092-77-0) is a chemical compound with molecular formula C14H7N3O6 and molecular weight 313.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5,10-trinitrophenanthrene
Also Known As: 1,5,10-Trinitrophenanthrene, RefChem:221100
| Molecular Formula | C14H7N3O6 |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 313.03348 |
| Heavy Atoms | 23 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 159092-77-0 |
|---|---|
| SMILES | C1=CC2=CC(=C3C(=C2C(=C1)[N+](=O)[O-])C=CC=C3[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PGSVQALYZWZFIE-UHFFFAOYSA-N |
Product Overview
1,5,10-Trinitrophenanthrene (CAS 159092-77-0), with molecular formula C14H7N3O6 and molecular weight 313.03 g/mol. IUPAC: 1,5,10-trinitrophenanthrene.
Chemical Property Profile of 1,5,10-Trinitrophenanthrene
Property Insights of 1,5,10-Trinitrophenanthrene
The XLogP value of 3.6 indicates that 1,5,10-Trinitrophenanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5,10-Trinitrophenanthrene. Following Lipinski's Rule of Five, 1,5,10-Trinitrophenanthrene has 0 hydrogen bond donor(s) and 6 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 1,5,10-Trinitrophenanthrene?
The CAS number of 1,5,10-Trinitrophenanthrene is 159092-77-0.
What is the molecular formula of 1,5,10-Trinitrophenanthrene?
The molecular formula of 1,5,10-Trinitrophenanthrene is C14H7N3O6.
What is the molecular weight of 1,5,10-Trinitrophenanthrene?
The molecular weight of 1,5,10-Trinitrophenanthrene is 313.03 g/mol.
Where can I buy 1,5,10-Trinitrophenanthrene?
You can request a quote for 1,5,10-Trinitrophenanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5,10-Trinitrophenanthrene?
Yes, KEHONG BIO provides custom synthesis services for 1,5,10-Trinitrophenanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.