3,8-Dibromo-2-nitrophenanthridin-6(5h)-one
TL;DR: 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one (CAS 26856-96-2) is a chemical compound with molecular formula C13H6Br2N2O3 and molecular weight 395.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dibromo-2-nitro-5H-phenanthridin-6-one
Also Known As: 3,8-dibromo-2-nitrophenanthridin-6(5h)-one, 3,8-dibromo-2-nitro-5H-phenanthridin-6-one, 6(5H)-Phenanthridinone,3,8-dibromo-2-nitro-
| Molecular Formula | C13H6Br2N2O3 |
|---|---|
| Molecular Weight | 395.87 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 395.8745 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 26856-96-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=O)NC3=CC(=C(C=C23)[N+](=O)[O-])Br |
| InChIKey | XXIHVUROBJUZJU-UHFFFAOYSA-N |
Product Overview
3,8-Dibromo-2-nitrophenanthridin-6(5h)-one (CAS 26856-96-2), with molecular formula C13H6Br2N2O3 and molecular weight 395.87 g/mol. IUPAC: 3,8-dibromo-2-nitro-5H-phenanthridin-6-one.
Chemical Property Profile of 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one
Property Insights of 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one
The XLogP value of 3.7 indicates that 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one. Following Lipinski's Rule of Five, 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one has 1 hydrogen bond donor(s) and 3 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 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one?
The CAS number of 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one is 26856-96-2.
What is the molecular formula of 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one?
The molecular formula of 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one is C13H6Br2N2O3.
What is the molecular weight of 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one?
The molecular weight of 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one is 395.87 g/mol.
Where can I buy 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one?
You can request a quote for 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Dibromo-2-nitrophenanthridin-6(5h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.