6-Chloro-3,8-dinitrophenanthridine
TL;DR: 6-Chloro-3,8-dinitrophenanthridine (CAS 3391-80-8) is a chemical compound with molecular formula C13H6ClN3O4 and molecular weight 303.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3,8-dinitrophenanthridine
Also Known As: 6-chloro-3,8-dinitrophenanthridine, 6-chloro-3,8-dinitro-phenanthridine
| Molecular Formula | C13H6ClN3O4 |
|---|---|
| Molecular Weight | 303.00 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.00467 |
| Heavy Atoms | 21 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 3391-80-8 |
|---|---|
| SMILES | C1=CC2=C3C=CC(=CC3=NC(=C2C=C1[N+](=O)[O-])Cl)[N+](=O)[O-] |
| InChIKey | QDKHMKWDHJRERG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-3,8-dinitrophenanthridine (CAS 3391-80-8), with molecular formula C13H6ClN3O4 and molecular weight 303.00 g/mol. IUPAC: 6-chloro-3,8-dinitrophenanthridine.
Chemical Property Profile of 6-Chloro-3,8-dinitrophenanthridine
Property Insights of 6-Chloro-3,8-dinitrophenanthridine
The XLogP value of 4.1 indicates that 6-Chloro-3,8-dinitrophenanthridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-3,8-dinitrophenanthridine. Following Lipinski's Rule of Five, 6-Chloro-3,8-dinitrophenanthridine has 0 hydrogen bond donor(s) and 5 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 6-Chloro-3,8-dinitrophenanthridine?
The CAS number of 6-Chloro-3,8-dinitrophenanthridine is 3391-80-8.
What is the molecular formula of 6-Chloro-3,8-dinitrophenanthridine?
The molecular formula of 6-Chloro-3,8-dinitrophenanthridine is C13H6ClN3O4.
What is the molecular weight of 6-Chloro-3,8-dinitrophenanthridine?
The molecular weight of 6-Chloro-3,8-dinitrophenanthridine is 303.00 g/mol.
Where can I buy 6-Chloro-3,8-dinitrophenanthridine?
You can request a quote for 6-Chloro-3,8-dinitrophenanthridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-3,8-dinitrophenanthridine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-3,8-dinitrophenanthridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.