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2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione
TL;DR: 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione (CAS 54108-07-5) is a chemical compound with molecular formula C16H9N3O5S and molecular weight 355.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxopyrrolo[3,4-b]quinoxalin-2-yl) benzenesulfonate
Also Known As: (1,3-dioxopyrrolo[3,4-b]quinoxalin-2-yl) benzenesulfonate, 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione, 1,3-dioxo-1H,2H,3H-pyrrolo[3,4-b]quinoxalin-2-yl benzenesulfonate, 1,3-Dioxo-1,3-dihydro-2H-pyrrolo[3,4-b]quinoxalin-2-yl benzenesulfonate, Benzenesulfonic acid (1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-b]quinoxalin)-2-yl ester
| Molecular Formula | C16H9N3O5S |
|---|---|
| Molecular Weight | 355.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.0263 |
| Heavy Atoms | 25 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 54108-07-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=NC4=CC=CC=C4N=C3C2=O |
| InChIKey | LROREHMXJLUEAW-UHFFFAOYSA-N |
Product Overview
2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione (CAS 54108-07-5), with molecular formula C16H9N3O5S and molecular weight 355.03 g/mol. IUPAC: (1,3-dioxopyrrolo[3,4-b]quinoxalin-2-yl) benzenesulfonate.
Chemical Property Profile of 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione
Property Insights of 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione has 0 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 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione?
The CAS number of 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione is 54108-07-5.
What is the molecular formula of 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione?
The molecular formula of 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione is C16H9N3O5S.
What is the molecular weight of 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione?
The molecular weight of 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione is 355.03 g/mol.
Where can I buy 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione?
You can request a quote for 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Benzenesulfonyl)oxy]-1H-pyrrolo[3,4-b]quinoxaline-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.