![(4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide structure](/static/products/958/958986-59-9.png)
(4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
TL;DR: (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide (CAS 958986-59-9) is a chemical compound with molecular formula C22H15Cl3N4O3 and molecular weight 488.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,6R,7S)-N-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-3,5-dioxo-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide
Also Known As: (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide, (4aR,4bS,7aR,8S)-6-(2,4-Dichloro-phenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3'4':3,4]pyr rolo[1,2-b]pyridazine-8-carboxylic acid (4-chloro-phenyl)-amide
| Molecular Formula | C22H15Cl3N4O3 |
|---|---|
| Molecular Weight | 488.02 g/mol |
| LogP | 3.9995 |
| Topological Polar Surface Area | 82.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 488.02097 |
| Heavy Atoms | 32 |
| Complexity | 1197.4072 |
Chemical Identifiers
| CAS Number | 958986-59-9 |
|---|---|
| SMILES | C1=C[C@@H]2[C@@H]3[C@H]([C@H](N2N=C1)C(=O)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=C(C=C(C=C5)Cl)Cl |
Product Overview
(4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide (CAS 958986-59-9), with molecular formula C22H15Cl3N4O3 and molecular weight 488.02 g/mol. IUPAC: (1R,2S,6R,7S)-N-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-3,5-dioxo-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide.
Chemical Property Profile of (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
Property Insights of (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide
The XLogP value of 3.9995 indicates that (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide. Following Lipinski's Rule of Five, (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide 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 (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide?
The CAS number of (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide is 958986-59-9.
What is the molecular formula of (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide?
The molecular formula of (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide is C22H15Cl3N4O3.
What is the molecular weight of (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide?
The molecular weight of (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide is 488.02 g/mol.
Where can I buy (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide?
You can request a quote for (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide 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)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (4aR,4bS,7aR,8S)-N-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-5,7-dioxo-4b,5,6,7,7a,8-hexahydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-8-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.