![(2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile structure](/static/products/302/302557-80-8.png)
(2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
TL;DR: (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile (CAS 302557-80-8) is a chemical compound with molecular formula C27H27N3O3 and molecular weight 441.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile, (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-pivaloyl-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
| Molecular Formula | C27H27N3O3 |
|---|---|
| Molecular Weight | 441.21 g/mol |
| LogP | 4.84596 |
| Topological Polar Surface Area | 86.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.20523 |
| Heavy Atoms | 33 |
| Complexity | 1198.3381 |
Chemical Identifiers
| CAS Number | 302557-80-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@H]1[C@@H](C([C@H]2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC(=C(C=C4)OC)OC |
Product Overview
(2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile (CAS 302557-80-8), with molecular formula C27H27N3O3 and molecular weight 441.21 g/mol. IUPAC: (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
Chemical Property Profile of (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Property Insights of (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
The XLogP value of 4.84596 indicates that (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-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 86.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile. Following Lipinski's Rule of Five, (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile 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 (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The CAS number of (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is 302557-80-8.
What is the molecular formula of (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The molecular formula of (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is C27H27N3O3.
What is the molecular weight of (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The molecular weight of (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is 441.21 g/mol.
Where can I buy (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
You can request a quote for (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-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)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2R,3R,10bS)-2-(3,4-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-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.