8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE
TL;DR: 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE (CAS 882865-54-5) is a chemical compound with molecular formula C22H16N4O5 and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-nitrobenzoyl)-4-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
Also Known As: 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE, 669-021-6, RefChem:547370
| Molecular Formula | C22H16N4O5 |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 2.1917 |
| Topological Polar Surface Area | 113.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.11206 |
| Heavy Atoms | 31 |
| Complexity | 1175.4336 |
Chemical Identifiers
| CAS Number | 882865-54-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3C4C=CC=NN4C(C3C2=O)C(=O)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE (CAS 882865-54-5), with molecular formula C22H16N4O5 and molecular weight 416.11 g/mol. IUPAC: 7-(3-nitrobenzoyl)-4-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione.
Chemical Property Profile of 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE
Property Insights of 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE
The XLogP value of 2.1917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE. The TPSA of 113.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE. Following Lipinski's Rule of Five, 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE has 0 hydrogen bond donor(s) and 7 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 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE?
The CAS number of 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE is 882865-54-5.
What is the molecular formula of 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE?
The molecular formula of 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE is C22H16N4O5.
What is the molecular weight of 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE?
The molecular weight of 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE is 416.11 g/mol.
Where can I buy 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE?
You can request a quote for 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE?
Yes, KEHONG BIO provides custom synthesis services for 8-(3-NITROBENZOYL)-6-PHENYL-7A,8-DIHYDRO-4AH-PYRROLO(3',4':3,4)PYRROLO(1,2-B)PYRIDAZINE-5,7(4BH,6H)-DIONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.