![(4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione structure](/static/products/121/1212477-49-0.webp)
(4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-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-[(3,4-dimethoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione (CAS 1212477-49-0) is a chemical compound with molecular formula C18H17N3O5 and molecular weight 355.11682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S,6R,7S)-7-(3,4-dimethoxybenzoyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
Also Known As: (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione, (4aR,4bS,7aR,8S)-8-(3,4-dimethoxybenzoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Technical Specifications
| Molecular Formula | C18H17N3O5 |
| Molecular Weight | 355.11682 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.11682 Da |
| Heavy Atoms | 26 |
| Complexity | 690.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)[C@@H]2[C@H]3[C@@H]([C@@H]4N2N=CC=C4)C(=O)NC3=O)OC |
| InChIKey | ISAKRASHNOEHJJ-QZKOUSHUSA-N |
Chemical Property Profile of (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-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-[(3,4-dimethoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-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-[(3,4-dimethoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-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-[(3,4-dimethoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione is 1212477-49-0.
What is the molecular formula of (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-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-[(3,4-dimethoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione is C18H17N3O5.
What is the molecular weight of (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-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-[(3,4-dimethoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione is 355.11682 g/mol.
Where can I buy (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-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-[(3,4-dimethoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione?
Yes, CoreyChem provides custom synthesis services for (4aR,4bS,7aR,8S)-8-[(3,4-dimethoxyphenyl)carbonyl]-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.