![(3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile structure](/static/products/101/1014004-53-5.png)
(3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
TL;DR: (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile (CAS 1014004-53-5) is a chemical compound with molecular formula C24H15BrN4O5 and molecular weight 518.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[3,4-a]indolizine-8-carbonitrile
Also Known As: (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile, (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[3,4-a]indolizine-8-carbonitrile, (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-[(3-nitrophenyl)carbonyl]-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
| Molecular Formula | C24H15BrN4O5 |
|---|---|
| Molecular Weight | 518.02 g/mol |
| LogP | 3.37588 |
| Topological Polar Surface Area | 124.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.0226 |
| Heavy Atoms | 34 |
| Complexity | 1377.4135 |
Chemical Identifiers
| CAS Number | 1014004-53-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)[C@H]2[C@@H]3[C@H]([C@H]4N2C=CC(=C4)C#N)C(=O)N(C3=O)C5=CC(=CC=C5)Br |
Product Overview
(3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile (CAS 1014004-53-5), with molecular formula C24H15BrN4O5 and molecular weight 518.02 g/mol. IUPAC: (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[3,4-a]indolizine-8-carbonitrile.
Chemical Property Profile of (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
Property Insights of (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile
The XLogP value of 3.37588 indicates that (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile. Following Lipinski's Rule of Five, (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
The CAS number of (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile is 1014004-53-5.
What is the molecular formula of (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
The molecular formula of (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile is C24H15BrN4O5.
What is the molecular weight of (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
The molecular weight of (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile is 518.02 g/mol.
Where can I buy (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
You can request a quote for (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3aS,4R,9aS,9bR)-2-(3-bromophenyl)-4-(3-nitrobenzoyl)-1,3-dioxo-2,3,3a,4,9a,9b-hexahydro-1H-pyrrolo[3,4-a]indolizine-8-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.