![(2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile structure](/static/products/302/302326-18-7.png)
(2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
TL;DR: (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile (CAS 302326-18-7) is a chemical compound with molecular formula C28H22N4O2 and molecular weight 446.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
| Molecular Formula | C28H22N4O2 |
|---|---|
| Molecular Weight | 446.17 g/mol |
| LogP | 6.1113 |
| Topological Polar Surface Area | 93.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.1743 |
| Heavy Atoms | 34 |
| Complexity | 1414.8041 |
Chemical Identifiers
| CAS Number | 302326-18-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)[C@H]2[C@@H](C([C@H]3N2C=CC4=CC=CC=C34)(C#N)C#N)C5=CC(=CC=C5)[N+](=O)[O-])C |
Product Overview
(2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile (CAS 302326-18-7), with molecular formula C28H22N4O2 and molecular weight 446.17 g/mol. IUPAC: (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
Chemical Property Profile of (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Property Insights of (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
The XLogP value of 6.1113 indicates that (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile. Following Lipinski's Rule of Five, (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The CAS number of (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is 302326-18-7.
What is the molecular formula of (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The molecular formula of (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is C28H22N4O2.
What is the molecular weight of (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The molecular weight of (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is 446.17 g/mol.
Where can I buy (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
You can request a quote for (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2R,3R,10bS)-3-(2,4-dimethylphenyl)-2-(3-nitrophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.