![(2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile structure](/static/products/305/305375-53-5.png)
(2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
TL;DR: (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile (CAS 305375-53-5) is a chemical compound with molecular formula C22H15F2N3O and molecular weight 375.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
| Molecular Formula | C22H15F2N3O |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 4.08076 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.11832 |
| Heavy Atoms | 28 |
| Complexity | 1081.6912 |
Chemical Identifiers
| CAS Number | 305375-53-5 |
|---|---|
| SMILES | CC(=O)[C@H]1[C@@H](C([C@H]2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=C(C(=CC=C4)F)F |
Product Overview
(2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile (CAS 305375-53-5), with molecular formula C22H15F2N3O and molecular weight 375.12 g/mol. IUPAC: (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
Chemical Property Profile of (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Property Insights of (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
The XLogP value of 4.08076 indicates that (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-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)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile. Following Lipinski's Rule of Five, (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile 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 (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The CAS number of (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is 305375-53-5.
What is the molecular formula of (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The molecular formula of (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is C22H15F2N3O.
What is the molecular weight of (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The molecular weight of (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is 375.12 g/mol.
Where can I buy (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
You can request a quote for (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-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)-3-acetyl-2-(2,3-difluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-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.