![(8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione structure](/static/products/958/958951-07-0.png)
(8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione
TL;DR: (8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione (CAS 958951-07-0) is a chemical compound with molecular formula C26H26N2O3 and molecular weight 414.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,11S,12R,16S)-14-benzyl-11-(2,2-dimethylpropanoyl)-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)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione, (8S,8aR,11aS,11bS)-10-benzyl-8-(2,2-dimethylpropanoyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione, (8S,8aR,11aS,11bS)-10-benzyl-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
| Molecular Formula | C26H26N2O3 |
|---|---|
| Molecular Weight | 414.19 g/mol |
| LogP | 3.8128 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.19434 |
| Heavy Atoms | 31 |
| Complexity | 1099.1353 |
Chemical Identifiers
| CAS Number | 958951-07-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)CC5=CC=CC=C5 |
Product Overview
(8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione (CAS 958951-07-0), with molecular formula C26H26N2O3 and molecular weight 414.19 g/mol. IUPAC: (1S,11S,12R,16S)-14-benzyl-11-(2,2-dimethylpropanoyl)-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)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione
Property Insights of (8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione
The XLogP value of 3.8128 indicates that (8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, (8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-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,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione?
The CAS number of (8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione is 958951-07-0.
What is the molecular formula of (8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione?
The molecular formula of (8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione is C26H26N2O3.
What is the molecular weight of (8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione?
The molecular weight of (8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione is 414.19 g/mol.
Where can I buy (8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione?
You can request a quote for (8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[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)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione?
Yes, KEHONG BIO provides custom synthesis services for (8S,8aR,11aS,11bS)-10-Benzyl-8-(2,2-dimethyl-propionyl)-8,8a,11a,11b-tetrahydro-pyrrolo[3',4':3,4]py rrolo[2,1-a]isoquinoline-9,11-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.