3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物
TL;DR: 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物 (CAS 98093-59-5) is a chemical compound with molecular formula C7H5NO4S and molecular weight 198.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物
2,2-dioxo-1H-3,2λ6,1-benzoxathiazin-4-one
Also Known As: 2,2-dioxo-1H-3,2, 3,2,1-benzoxathiazin-4(1h)-one 2,2-dioxide, 2,2-dioxo-1H-3,2, E6,1-benzoxathiazin-4-one, 2,2-dioxo-1H-3,2lambda6,1-benzoxathiazin-4-one
| Molecular Formula | C7H5NO4S |
|---|---|
| Molecular Weight | 198.99 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.99393 |
| Heavy Atoms | 13 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 98093-59-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OS(=O)(=O)N2 |
| InChIKey | CIUBQXAPMJURJR-UHFFFAOYSA-N |
Product Overview
3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物 (CAS 98093-59-5), with molecular formula C7H5NO4S and molecular weight 198.99 g/mol. IUPAC: 2,2-dioxo-1H-3,2λ6,1-benzoxathiazin-4-one.
Chemical Property Profile of 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物
Property Insights of 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物. Following Lipinski's Rule of Five, 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物 has 1 hydrogen bond donor(s) and 5 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 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物?
The CAS number of 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物 is 98093-59-5.
What is the molecular formula of 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物?
The molecular formula of 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物 is C7H5NO4S.
What is the molecular weight of 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物?
The molecular weight of 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物 is 198.99 g/mol.
Where can I buy 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物?
You can request a quote for 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物?
Yes, KEHONG BIO provides custom synthesis services for 3,2,1-苯并噁噻嗪-4(1H)-酮 2,2-二氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.