![(8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione structure](/static/products/445/445462-69-1.png)
(8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione
TL;DR: (8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione (CAS 445462-69-1) is a chemical compound with molecular formula C23H20N2O4 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,11S,12R,16S)-11-acetyl-14-(4-methoxyphenyl)-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,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione, (8S,8aR,11aS,11bS)-8-acetyl-10-(4-methoxyphenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione, Opera_ID_1426
| Molecular Formula | C23H20N2O4 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 2.7996 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.1423 |
| Heavy Atoms | 29 |
| Complexity | 1058.8025 |
Chemical Identifiers
| CAS Number | 445462-69-1 |
|---|---|
| SMILES | CC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=C(C=C5)OC |
Product Overview
(8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione (CAS 445462-69-1), with molecular formula C23H20N2O4 and molecular weight 388.14 g/mol. IUPAC: (1S,11S,12R,16S)-11-acetyl-14-(4-methoxyphenyl)-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,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione
Property Insights of (8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione
The XLogP value of 2.7996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione. Following Lipinski's Rule of Five, (8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-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 (8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione?
The CAS number of (8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione is 445462-69-1.
What is the molecular formula of (8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione?
The molecular formula of (8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione is C23H20N2O4.
What is the molecular weight of (8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione?
The molecular weight of (8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione is 388.14 g/mol.
Where can I buy (8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione?
You can request a quote for (8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-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,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione?
Yes, KEHONG BIO provides custom synthesis services for (8S,8aR,11aS,11bS)-8-Acetyl-10-(4-methoxy-phenyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]pyrrolo[ 2,1-a]isoquinoline-9,11-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.