![(4aR,4bS,7aR,8S)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione structure](/static/products/121/1212463-47-2.png)
(4aR,4bS,7aR,8S)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-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)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione (CAS 1212463-47-2) is a chemical compound with molecular formula C20H27N3O3 and molecular weight 357.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,6R,7S)-4-cyclohexyl-7-(2,2-dimethylpropanoyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
Also Known As: (4aR,4bS,7aR,8S)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione, (4aR,4bS,7aR,8S)-6-cyclohexyl-8-pivaloyl-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
| Molecular Formula | C20H27N3O3 |
|---|---|
| Molecular Weight | 357.21 g/mol |
| LogP | 2.1439 |
| Topological Polar Surface Area | 70.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.20523 |
| Heavy Atoms | 26 |
| Complexity | 699.5802 |
Chemical Identifiers
| CAS Number | 1212463-47-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1N=CC=C3)C(=O)N(C2=O)C4CCCCC4 |
Product Overview
(4aR,4bS,7aR,8S)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione (CAS 1212463-47-2), with molecular formula C20H27N3O3 and molecular weight 357.21 g/mol. IUPAC: (1R,2S,6R,7S)-4-cyclohexyl-7-(2,2-dimethylpropanoyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione.
Chemical Property Profile of (4aR,4bS,7aR,8S)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-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)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
The XLogP value of 2.1439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aR,4bS,7aR,8S)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione. The TPSA of 70.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (4aR,4bS,7aR,8S)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-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)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-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 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)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-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)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione is 1212463-47-2.
What is the molecular formula of (4aR,4bS,7aR,8S)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-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)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione is C20H27N3O3.
What is the molecular weight of (4aR,4bS,7aR,8S)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-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)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione is 357.21 g/mol.
Where can I buy (4aR,4bS,7aR,8S)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-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)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-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)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-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)-6-cyclohexyl-8-(2,2-dimethylpropanoyl)-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.