3,8-dinitrophenanthridin-6(5H)-one
TL;DR: 3,8-dinitrophenanthridin-6(5H)-one (CAS 23818-38-4) is a chemical compound with molecular formula C13H7N3O5 and molecular weight 285.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dinitro-5H-phenanthridin-6-one
Also Known As: 3,8-dinitrophenanthridin-6(5H)-one, 3,8-Dinitro-5H-phenanthridin-6-one, 2,7-dinitro-fluoren-9-one oxime, 3,8-dinitro-6(5h)-phenanthridinone, 6(5H)-Phenanthridinone,3,8-dinitro-
| Molecular Formula | C13H7N3O5 |
|---|---|
| Molecular Weight | 285.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 285.03857 |
| Heavy Atoms | 21 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 23818-38-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC3=C2C=CC(=C3)[N+](=O)[O-] |
| InChIKey | NFQCBMOTZZLRCE-UHFFFAOYSA-N |
Product Overview
3,8-dinitrophenanthridin-6(5H)-one (CAS 23818-38-4), with molecular formula C13H7N3O5 and molecular weight 285.04 g/mol. IUPAC: 3,8-dinitro-5H-phenanthridin-6-one.
Chemical Property Profile of 3,8-dinitrophenanthridin-6(5H)-one
Property Insights of 3,8-dinitrophenanthridin-6(5H)-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-dinitrophenanthridin-6(5H)-one. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-dinitrophenanthridin-6(5H)-one. Following Lipinski's Rule of Five, 3,8-dinitrophenanthridin-6(5H)-one has 1 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 3,8-dinitrophenanthridin-6(5H)-one?
The CAS number of 3,8-dinitrophenanthridin-6(5H)-one is 23818-38-4.
What is the molecular formula of 3,8-dinitrophenanthridin-6(5H)-one?
The molecular formula of 3,8-dinitrophenanthridin-6(5H)-one is C13H7N3O5.
What is the molecular weight of 3,8-dinitrophenanthridin-6(5H)-one?
The molecular weight of 3,8-dinitrophenanthridin-6(5H)-one is 285.04 g/mol.
Where can I buy 3,8-dinitrophenanthridin-6(5H)-one?
You can request a quote for 3,8-dinitrophenanthridin-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-dinitrophenanthridin-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,8-dinitrophenanthridin-6(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.