Phenanthrene, 3,6,9-trinitro-
TL;DR: Phenanthrene, 3,6,9-trinitro- (CAS 159092-84-9) 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.
3,6,9-trinitrophenanthrene
Also Known As: 3,6,9-Trinitrophenanthrene, Phenanthrene, 3,6,9-trinitro-, RefChem:368549
| Molecular Formula | C14H7N3O6 |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | 3.9 |
| 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 | 159092-84-9 |
|---|---|
| SMILES | C1=CC(=CC2=C3C=C(C=CC3=C(C=C21)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WDGIWHCVUOLSME-UHFFFAOYSA-N |
Product Overview
Phenanthrene, 3,6,9-trinitro- (CAS 159092-84-9), with molecular formula C14H7N3O6 and molecular weight 313.03 g/mol. IUPAC: 3,6,9-trinitrophenanthrene.
Chemical Property Profile of Phenanthrene, 3,6,9-trinitro-
Property Insights of Phenanthrene, 3,6,9-trinitro-
The XLogP value of 3.9 indicates that Phenanthrene, 3,6,9-trinitro- 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 Phenanthrene, 3,6,9-trinitro-. Following Lipinski's Rule of Five, Phenanthrene, 3,6,9-trinitro- 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 Phenanthrene, 3,6,9-trinitro-?
The CAS number of Phenanthrene, 3,6,9-trinitro- is 159092-84-9.
What is the molecular formula of Phenanthrene, 3,6,9-trinitro-?
The molecular formula of Phenanthrene, 3,6,9-trinitro- is C14H7N3O6.
What is the molecular weight of Phenanthrene, 3,6,9-trinitro-?
The molecular weight of Phenanthrene, 3,6,9-trinitro- is 313.03 g/mol.
Where can I buy Phenanthrene, 3,6,9-trinitro-?
You can request a quote for Phenanthrene, 3,6,9-trinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenanthrene, 3,6,9-trinitro-?
Yes, KEHONG BIO provides custom synthesis services for Phenanthrene, 3,6,9-trinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.