![1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one structure](/static/products/4053/40535-16-8.webp)
1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one
TL;DR: 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one (CAS 40535-16-8) is a chemical compound with molecular formula C16H15NO4S and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,4-dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one
Also Known As: 1-(4,4-dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one, 1-(4,4-dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrro, 2-Pyrrolidinone, 1-(5,6-dihydronaphth[2,1-c][1,2]oxathiin-2-yl)-, S,S-dioxide, 2-Pyrrolidinone,6-dihydronaphth[2,1-c][1,2]oxathiin-2-yl)-, S,S-dioxide, 1-(4,4-Dioxido-5,6-dihydronaphtho[2,1-c][1,2]oxathiin-2-yl)-2-pyrrolidinone
| Molecular Formula | C16H15NO4S |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.07217 |
| Heavy Atoms | 22 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 40535-16-8 |
|---|---|
| SMILES | C1CC(=O)N(C1)C2=CC3=C(CCC4=CC=CC=C43)S(=O)(=O)O2 |
| InChIKey | BHKYWRWKGNYSOJ-UHFFFAOYSA-N |
Product Overview
1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one (CAS 40535-16-8), with molecular formula C16H15NO4S and molecular weight 317.07 g/mol. IUPAC: 1-(4,4-dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one.
Chemical Property Profile of 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one
Property Insights of 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one. Following Lipinski's Rule of Five, 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one has 0 hydrogen bond donor(s) and 4 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 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one?
The CAS number of 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one is 40535-16-8.
What is the molecular formula of 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one?
The molecular formula of 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one is C16H15NO4S.
What is the molecular weight of 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one?
The molecular weight of 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one is 317.07 g/mol.
Where can I buy 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one?
You can request a quote for 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,4-Dioxo-5,6-dihydrobenzo[f][2,1]benzoxathiin-2-yl)pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.