![(8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione structure](/static/products/958/958952-61-9.png)
(8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione
TL;DR: (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione (CAS 958952-61-9) is a chemical compound with molecular formula C22H24N2O3 and molecular weight 364.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11S,12R,16S)-11-acetyl-14-cyclohexyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
Also Known As: (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione, (8S,8aR,11aS)-8-acetyl-10-cyclohexyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
| Molecular Formula | C22H24N2O3 |
|---|---|
| Molecular Weight | 364.18 g/mol |
| LogP | 2.9191 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.17868 |
| Heavy Atoms | 27 |
| Complexity | 854.8688 |
Chemical Identifiers
| CAS Number | 958952-61-9 |
|---|---|
| SMILES | CC(=O)[C@@H]1[C@H]2[C@@H](C3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5CCCCC5 |
Product Overview
(8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione (CAS 958952-61-9), with molecular formula C22H24N2O3 and molecular weight 364.18 g/mol. IUPAC: (11S,12R,16S)-11-acetyl-14-cyclohexyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione.
Chemical Property Profile of (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione
Property Insights of (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione
The XLogP value of 2.9191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione. With a topological polar surface area (TPSA) of 57.69 Ų, (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione has 0 hydrogen bond donor(s) and 4 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 (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione?
The CAS number of (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione is 958952-61-9.
What is the molecular formula of (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione?
The molecular formula of (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione is C22H24N2O3.
What is the molecular weight of (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione?
The molecular weight of (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione is 364.18 g/mol.
Where can I buy (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione?
You can request a quote for (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione?
Yes, KEHONG BIO provides custom synthesis services for (8S,8aR,11aS)-8-Acetyl-10-cyclohexyl-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinol ine-9,11-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.