![1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile structure](/static/products/131/1311035-38-7.png)
1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
TL;DR: 1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile (CAS 1311035-38-7) is a chemical compound with molecular formula C26H19N3OS and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3aR)-1-(4-methylbenzoyl)-2-thiophen-2-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: 1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, AN-329/40077395, (1S,2S,3aR)-1-(4-methylbenzoyl)-2-thiophen-2-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
| Molecular Formula | C26H19N3OS |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 5.34078 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.12488 |
| Heavy Atoms | 31 |
| Complexity | 1247.2261 |
Chemical Identifiers
| CAS Number | 1311035-38-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C([C@@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=CS5 |
Product Overview
1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile (CAS 1311035-38-7), with molecular formula C26H19N3OS and molecular weight 421.12 g/mol. IUPAC: (1S,2S,3aR)-1-(4-methylbenzoyl)-2-thiophen-2-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of 1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Property Insights of 1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
The XLogP value of 5.34078 indicates that 1-(4-methylbenzoyl)-2-(2-thienyl)-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 1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile. Following Lipinski's Rule of Five, 1-(4-methylbenzoyl)-2-(2-thienyl)-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 1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The CAS number of 1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is 1311035-38-7.
What is the molecular formula of 1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The molecular formula of 1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is C26H19N3OS.
What is the molecular weight of 1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The molecular weight of 1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is 421.12 g/mol.
Where can I buy 1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
You can request a quote for 1-(4-methylbenzoyl)-2-(2-thienyl)-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 1-(4-methylbenzoyl)-2-(2-thienyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methylbenzoyl)-2-(2-thienyl)-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.