![(1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile structure](/static/products/121/1212438-09-9.png)
(1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
TL;DR: (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile (CAS 1212438-09-9) is a chemical compound with molecular formula C24H23N3OS and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-thiophen-3-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-thiophen-3-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2R,3aR)-7-methyl-1-pivaloyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C24H23N3OS |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 5.07308 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.1562 |
| Heavy Atoms | 29 |
| Complexity | 1064.8047 |
Chemical Identifiers
| CAS Number | 1212438-09-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3[C@H](C=C2)C([C@@H]([C@H]3C(=O)C(C)(C)C)C4=CSC=C4)(C#N)C#N |
Product Overview
(1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile (CAS 1212438-09-9), with molecular formula C24H23N3OS and molecular weight 401.16 g/mol. IUPAC: (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-thiophen-3-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Property Insights of (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
The XLogP value of 5.07308 indicates that (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-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 (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile. Following Lipinski's Rule of Five, (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-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 (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The CAS number of (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is 1212438-09-9.
What is the molecular formula of (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The molecular formula of (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is C24H23N3OS.
What is the molecular weight of (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The molecular weight of (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is 401.16 g/mol.
Where can I buy (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
You can request a quote for (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1S,2R,3aR)-1-(2,2-dimethylpropanoyl)-7-methyl-2-(thiophen-3-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.