2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one
TL;DR: 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one (CAS 5242-33-1) is a chemical compound with molecular formula C7H5NO5S and molecular weight 214.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dioxo-1,5,2λ6,3-benzodioxathiazepin-4-one
Also Known As: 2,2-dioxo-1,5,2, 2,2-dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one, 4-Hydroxy-2H-1,5,2lambda~6~,3-benzodioxathiazepine-2,2-dione
| Molecular Formula | C7H5NO5S |
|---|---|
| Molecular Weight | 214.99 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.98885 |
| Heavy Atoms | 14 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 5242-33-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OC(=O)NS(=O)(=O)O2 |
| InChIKey | KQHDOVQCVNNHJY-UHFFFAOYSA-N |
Product Overview
2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one (CAS 5242-33-1), with molecular formula C7H5NO5S and molecular weight 214.99 g/mol. IUPAC: 2,2-dioxo-1,5,2λ6,3-benzodioxathiazepin-4-one.
Chemical Property Profile of 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one
Property Insights of 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one. Following Lipinski's Rule of Five, 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one 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 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one?
The CAS number of 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one is 5242-33-1.
What is the molecular formula of 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one?
The molecular formula of 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one is C7H5NO5S.
What is the molecular weight of 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one?
The molecular weight of 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one is 214.99 g/mol.
Where can I buy 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one?
You can request a quote for 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dioxo-1,5,2lambda6,3-benzodioxathiazepin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.