![2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile structure](/static/products/1008/1008661-26-4.webp)
2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile
TL;DR: 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile (CAS 1008661-26-4) is a chemical compound with molecular formula C17H20N4O4S and molecular weight 376.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(7-morpholin-4-ylsulfonyl-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl)acetonitrile
Also Known As: 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile, 2-(7-morpholin-4-ylsulfonyl-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl)acetonitrile, 2-[7-(morpholine-4-sulfonyl)-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl]acetonitrile, Pyrrolo[1,2-a]quinoxaline-5(1H)-acetonitrile, 2,3,3a,4-tetrahydro-7-(4-morpholinylsulfonyl)-4-oxo-, 2-(7-morpholinosulfonyl-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl)acetonitrile
| Molecular Formula | C17H20N4O4S |
|---|---|
| Molecular Weight | 376.12 g/mol |
| LogP | 0.54648 |
| Topological Polar Surface Area | 93.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.1205 |
| Heavy Atoms | 26 |
| Complexity | 873.2393 |
Chemical Identifiers
| CAS Number | 1008661-26-4 |
|---|---|
| SMILES | C1CC2C(=O)N(C3=C(N2C1)C=CC(=C3)S(=O)(=O)N4CCOCC4)CC#N |
Product Overview
2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile (CAS 1008661-26-4), with molecular formula C17H20N4O4S and molecular weight 376.12 g/mol. IUPAC: 2-(7-morpholin-4-ylsulfonyl-4-oxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-5-yl)acetonitrile.
Chemical Property Profile of 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile
Property Insights of 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile
The XLogP value of 0.54648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile. The TPSA of 93.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile. Following Lipinski's Rule of Five, 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile has 0 hydrogen bond donor(s) and 6 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-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile?
The CAS number of 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile is 1008661-26-4.
What is the molecular formula of 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile?
The molecular formula of 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile is C17H20N4O4S.
What is the molecular weight of 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile?
The molecular weight of 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile is 376.12 g/mol.
Where can I buy 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile?
You can request a quote for 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[7-(morpholinosulfonyl)-4-oxo-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.