![(2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile structure](/static/products/303/303039-37-4.png)
(2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
TL;DR: (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile (CAS 303039-37-4) is a chemical compound with molecular formula C27H17F2N3O and molecular weight 437.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,10bS)-3-benzoyl-2-(2,4-difluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2S,3R,10bS)-3-benzoyl-2-(2,4-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2S,3R,10bS)-3-benzoyl-2-(2,4-difluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
| Molecular Formula | C27H17F2N3O |
|---|---|
| Molecular Weight | 437.13 g/mol |
| LogP | 5.37466 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.13397 |
| Heavy Atoms | 33 |
| Complexity | 1356.1041 |
Chemical Identifiers
| CAS Number | 303039-37-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C([C@H]3N2C=CC4=CC=CC=C34)(C#N)C#N)C5=C(C=C(C=C5)F)F |
Product Overview
(2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile (CAS 303039-37-4), with molecular formula C27H17F2N3O and molecular weight 437.13 g/mol. IUPAC: (2S,3R,10bS)-3-benzoyl-2-(2,4-difluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
Chemical Property Profile of (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Property Insights of (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
The XLogP value of 5.37466 indicates that (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-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 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile. Following Lipinski's Rule of Five, (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The CAS number of (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is 303039-37-4.
What is the molecular formula of (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The molecular formula of (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is C27H17F2N3O.
What is the molecular weight of (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The molecular weight of (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is 437.13 g/mol.
Where can I buy (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
You can request a quote for (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-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 (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R,10bS)-2-(2,4-difluorophenyl)-3-(phenylcarbonyl)-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.