![3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate structure](/static/products/840/840460-25-5.png)
3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
TL;DR: 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 840460-25-5) is a chemical compound with molecular formula C22H23N5O4S and molecular weight 453.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
Also Known As: 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate, isopentyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
| Molecular Formula | C22H23N5O4S |
|---|---|
| Molecular Weight | 453.15 g/mol |
| LogP | 3.0062 |
| Topological Polar Surface Area | 143.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.14706 |
| Heavy Atoms | 32 |
| Complexity | 1426.5132 |
Chemical Identifiers
| CAS Number | 840460-25-5 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)S(=O)(=O)N)N |
Product Overview
3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 840460-25-5), with molecular formula C22H23N5O4S and molecular weight 453.15 g/mol. IUPAC: 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
Chemical Property Profile of 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Property Insights of 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
The XLogP value of 3.0062 indicates that 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.19 Ų indicates high polarity, suggesting 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate has 2 hydrogen bond donor(s) and 7 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 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The CAS number of 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 840460-25-5.
What is the molecular formula of 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular formula of 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is C22H23N5O4S.
What is the molecular weight of 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular weight of 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 453.15 g/mol.
Where can I buy 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
You can request a quote for 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.