![(8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione structure](/static/products/955/955965-29-4.png)
(8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
TL;DR: (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione (CAS 955965-29-4) is a chemical compound with molecular formula C23H19N3O6 and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,11R,12R,16S)-11-acetyl-14-(2-methoxy-5-nitrophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
Also Known As: (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
| Molecular Formula | C23H19N3O6 |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | 2.7078 |
| Topological Polar Surface Area | 110.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.12738 |
| Heavy Atoms | 32 |
| Complexity | 1221.9625 |
Chemical Identifiers
| CAS Number | 955965-29-4 |
|---|---|
| SMILES | CC(=O)[C@H]1[C@H]2[C@@H]([C@@H]3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=C(C=CC(=C5)[N+](=O)[O-])OC |
Product Overview
(8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione (CAS 955965-29-4), with molecular formula C23H19N3O6 and molecular weight 433.13 g/mol. IUPAC: (1S,11R,12R,16S)-11-acetyl-14-(2-methoxy-5-nitrophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione.
Chemical Property Profile of (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Property Insights of (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
The XLogP value of 2.7078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione. The TPSA of 110.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione. Following Lipinski's Rule of Five, (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-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 (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?
The CAS number of (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is 955965-29-4.
What is the molecular formula of (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?
The molecular formula of (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is C23H19N3O6.
What is the molecular weight of (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?
The molecular weight of (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is 433.13 g/mol.
Where can I buy (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?
You can request a quote for (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (8R,8aR,11aS,11bS)-8-acetyl-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.