![1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine structure](/static/products/845/845666-36-6.png)
1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
TL;DR: 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine (CAS 845666-36-6) is a chemical compound with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylphenyl)sulfonyl-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine
Also Known As: 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine, 3-(3-methylphenyl)sulfonyl-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine, 3-[(3-methylphenyl)sulfonyl]-1-(2-methylpropyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
| Molecular Formula | C21H22N4O2S |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 3.96392 |
| Topological Polar Surface Area | 90.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.14636 |
| Heavy Atoms | 28 |
| Complexity | 1306.9875 |
Chemical Identifiers
| CAS Number | 845666-36-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC(C)C)N |
Product Overview
1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine (CAS 845666-36-6), with molecular formula C21H22N4O2S and molecular weight 394.15 g/mol. IUPAC: 3-(3-methylphenyl)sulfonyl-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxalin-2-amine.
Chemical Property Profile of 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
Property Insights of 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
The XLogP value of 3.96392 indicates that 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine. Following Lipinski's Rule of Five, 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine has 1 hydrogen bond donor(s) and 5 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 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine?
The CAS number of 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine is 845666-36-6.
What is the molecular formula of 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine?
The molecular formula of 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine is C21H22N4O2S.
What is the molecular weight of 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine?
The molecular weight of 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine is 394.15 g/mol.
Where can I buy 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine?
You can request a quote for 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-isobutyl-3-(m-tolylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.