![5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile structure](/static/products/1008/1008035-65-1.webp)
5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile
TL;DR: 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile (CAS 1008035-65-1) is a chemical compound with molecular formula C21H21N3O and molecular weight 331.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,5-dimethylphenyl)methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile
Also Known As: 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile, 5-[(2,5-dimethylphenyl)methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile, 5-[(2,5-dimethylphenyl)methyl]-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carbonitrile, 5-(2,5-Dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo1,2-aquinoxaline-7-carbonitrile
| Molecular Formula | C21H21N3O |
|---|---|
| Molecular Weight | 331.17 g/mol |
| LogP | 3.69072 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.16846 |
| Heavy Atoms | 25 |
| Complexity | 896.4996 |
Chemical Identifiers
| CAS Number | 1008035-65-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C#N)N4CCCC4C2=O |
Product Overview
5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile (CAS 1008035-65-1), with molecular formula C21H21N3O and molecular weight 331.17 g/mol. IUPAC: 5-[(2,5-dimethylphenyl)methyl]-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile.
Chemical Property Profile of 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile
Property Insights of 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile
The XLogP value of 3.69072 indicates that 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.34 Ų, 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile has 0 hydrogen bond donor(s) and 3 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 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile?
The CAS number of 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile is 1008035-65-1.
What is the molecular formula of 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile?
The molecular formula of 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile is C21H21N3O.
What is the molecular weight of 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile?
The molecular weight of 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile is 331.17 g/mol.
Where can I buy 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile?
You can request a quote for 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,5-dimethylbenzyl)-4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.