![2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile structure](/static/products/313/313062-68-9.png)
2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile
TL;DR: 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile (CAS 313062-68-9) is a chemical compound with molecular formula C32H24ClN3O and molecular weight 501.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl]-cyclopropylmethylidene]propanedinitrile
Also Known As: 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile, 2-[[1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl]-cyclopropylmethylidene]propanedinitrile
| Molecular Formula | C32H24ClN3O |
|---|---|
| Molecular Weight | 501.16 g/mol |
| LogP | 6.96066 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.1608 |
| Heavy Atoms | 37 |
| Complexity | 1490.0731 |
Chemical Identifiers
| CAS Number | 313062-68-9 |
|---|---|
| SMILES | C1CC1C(=C(C#N)C#N)C2C3C=CC4=CC=CC=C4N3C(C2C5=CC=C(C=C5)Cl)C(=O)C6=CC=CC=C6 |
Product Overview
2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile (CAS 313062-68-9), with molecular formula C32H24ClN3O and molecular weight 501.16 g/mol. IUPAC: 2-[[1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl]-cyclopropylmethylidene]propanedinitrile.
Chemical Property Profile of 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile
Property Insights of 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile
The XLogP value of 6.96066 indicates that 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile 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 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile. Following Lipinski's Rule of Five, 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile 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 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile?
The CAS number of 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile is 313062-68-9.
What is the molecular formula of 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile?
The molecular formula of 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile is C32H24ClN3O.
What is the molecular weight of 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile?
The molecular weight of 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile is 501.16 g/mol.
Where can I buy 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile?
You can request a quote for 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-benzoyl-2-(4-chlorophenyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-3-yl)(cyclopropyl)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.