Furoyl saccharin
TL;DR: Furoyl saccharin (CAS 79642-61-8) is a chemical compound with molecular formula C12H7NO5S and molecular weight 277.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(furan-3-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: Furoyl saccharin, 2-(furan-3-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one, 1,2-Benzisothiazol-3(2H)-one, 2-(3-furanylcarbonyl)-, 1,1-dioxide, 2-(Furan-3-carbonyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione, RefChem:141849
| Molecular Formula | C12H7NO5S |
|---|---|
| Molecular Weight | 277.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.0045 |
| Heavy Atoms | 19 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 79642-61-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)C(=O)C3=COC=C3 |
| InChIKey | VMKAVSBKFBAXTD-UHFFFAOYSA-N |
Product Overview
Furoyl saccharin (CAS 79642-61-8), with molecular formula C12H7NO5S and molecular weight 277.00 g/mol. IUPAC: 2-(furan-3-carbonyl)-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of Furoyl saccharin
Property Insights of Furoyl saccharin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furoyl saccharin. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Furoyl saccharin. Following Lipinski's Rule of Five, Furoyl saccharin has 0 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 Furoyl saccharin?
The CAS number of Furoyl saccharin is 79642-61-8.
What is the molecular formula of Furoyl saccharin?
The molecular formula of Furoyl saccharin is C12H7NO5S.
What is the molecular weight of Furoyl saccharin?
The molecular weight of Furoyl saccharin is 277.00 g/mol.
Where can I buy Furoyl saccharin?
You can request a quote for Furoyl saccharin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furoyl saccharin?
Yes, KEHONG BIO provides custom synthesis services for Furoyl saccharin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.