![(4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione structure](/static/products/101/1013987-18-2.png)
(4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
TL;DR: (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione (CAS 1013987-18-2) is a chemical compound with molecular formula C23H17FN4O5 and molecular weight 448.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,6R,7S)-7-(4-fluorobenzoyl)-4-(2-methyl-5-nitrophenyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
Also Known As: (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione, (4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
| Molecular Formula | C23H17FN4O5 |
|---|---|
| Molecular Weight | 448.12 g/mol |
| LogP | 2.63922 |
| Topological Polar Surface Area | 113.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.1183 |
| Heavy Atoms | 33 |
| Complexity | 1272.1129 |
Chemical Identifiers
| CAS Number | 1013987-18-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@@H]3[C@H]4C=CC=NN4[C@@H]([C@@H]3C2=O)C(=O)C5=CC=C(C=C5)F |
Product Overview
(4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione (CAS 1013987-18-2), with molecular formula C23H17FN4O5 and molecular weight 448.12 g/mol. IUPAC: (1R,2S,6R,7S)-7-(4-fluorobenzoyl)-4-(2-methyl-5-nitrophenyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione.
Chemical Property Profile of (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Property Insights of (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
The XLogP value of 2.63922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-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 (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-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, (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-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 (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione?
The CAS number of (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione is 1013987-18-2.
What is the molecular formula of (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione?
The molecular formula of (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione is C23H17FN4O5.
What is the molecular weight of (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione?
The molecular weight of (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione is 448.12 g/mol.
Where can I buy (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-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 (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-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 (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-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 (4aR,4bS,7aR,8S)-8-(4-fluorobenzoyl)-6-(2-methyl-5-nitrophenyl)-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.