![(8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione structure](/static/products/958/958845-95-9.png)
(8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
TL;DR: (8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione (CAS 958845-95-9) is a chemical compound with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11S,12R,16S)-14-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
| Molecular Formula | C27H26N2O5 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.18417 |
| Heavy Atoms | 34 |
| Complexity | 909.0 |
Chemical Identifiers
| CAS Number | 958845-95-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@@H]1[C@H]2[C@@H](C3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC6=C(C=C5)OCCO6 |
| InChIKey | HSCWGSTVJAMWGR-KORDQABASA-N |
Product Overview
(8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione (CAS 958845-95-9), with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol. IUPAC: (11S,12R,16S)-14-(2,3-dihydro-1,4-benzodioxin-6-yl)-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)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Property Insights of (8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
The XLogP value of 3.4 indicates that (8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-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, (8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-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 6 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)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?
The CAS number of (8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is 958845-95-9.
What is the molecular formula of (8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?
The molecular formula of (8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is C27H26N2O5.
What is the molecular weight of (8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione?
The molecular weight of (8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione is 458.18 g/mol.
Where can I buy (8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-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 (8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-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 (8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-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 (8S,8aR,11aS)-10-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-pivaloyl-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.