![isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate structure](/static/products/840/840455-40-5.png)
isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
TL;DR: isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 840455-40-5) is a chemical compound with molecular formula C23H25N5O4S and molecular weight 467.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
Also Known As: isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, 2-methylpropyl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, 2-methylpropyl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
| Molecular Formula | C23H25N5O4S |
|---|---|
| Molecular Weight | 467.16 g/mol |
| LogP | 2.8696 |
| Topological Polar Surface Area | 143.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.16272 |
| Heavy Atoms | 33 |
| Complexity | 1443.5212 |
Chemical Identifiers
| CAS Number | 840455-40-5 |
|---|---|
| SMILES | CC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=C(C=C4)S(=O)(=O)N)N |
Product Overview
isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 840455-40-5), with molecular formula C23H25N5O4S and molecular weight 467.16 g/mol. IUPAC: 2-methylpropyl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.
Chemical Property Profile of isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Property Insights of isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
The XLogP value of 2.8696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate. The TPSA of 143.19 Ų indicates high polarity, suggesting isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, isobutyl 2-amino-1-(4-sulfamoylphenethyl)-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 isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The CAS number of isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 840455-40-5.
What is the molecular formula of isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular formula of isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is C23H25N5O4S.
What is the molecular weight of isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular weight of isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 467.16 g/mol.
Where can I buy isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
You can request a quote for isobutyl 2-amino-1-(4-sulfamoylphenethyl)-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 isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isobutyl 2-amino-1-(4-sulfamoylphenethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.