![3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate structure](/static/products/750/750614-47-2.png)
3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate
TL;DR: 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate (CAS 750614-47-2) is a chemical compound with molecular formula C26H21N5O6S and molecular weight 531.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl 3-nitrobenzoate
Also Known As: 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate, 3-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl 3-nitrobenzoate, 3-[2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]propyl 3-nitrobenzoate
| Molecular Formula | C26H21N5O6S |
|---|---|
| Molecular Weight | 531.12 g/mol |
| LogP | 4.1548 |
| Topological Polar Surface Area | 160.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.1213 |
| Heavy Atoms | 38 |
| Complexity | 1801.8516 |
Chemical Identifiers
| CAS Number | 750614-47-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCCOC(=O)C5=CC(=CC=C5)[N+](=O)[O-])N |
Product Overview
3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate (CAS 750614-47-2), with molecular formula C26H21N5O6S and molecular weight 531.12 g/mol. IUPAC: 3-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]propyl 3-nitrobenzoate.
Chemical Property Profile of 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate
Property Insights of 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate
The XLogP value of 4.1548 indicates that 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.31 Ų indicates high polarity, suggesting 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate?
The CAS number of 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate is 750614-47-2.
What is the molecular formula of 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate?
The molecular formula of 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate is C26H21N5O6S.
What is the molecular weight of 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate?
The molecular weight of 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate is 531.12 g/mol.
Where can I buy 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate?
You can request a quote for 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-amino-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)propyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.