1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide
TL;DR: 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide (CAS 40467-23-0) is a chemical compound with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dioxo-3-phenacyl-1H-2λ6,1,3-benzothiadiazin-4-one
Also Known As: 2,2-dioxo-3-phenacyl-1H-2, 3-1h-2,1,3-benzothiadiazin-4 -one2,2-dioxide, 3- -1H-2,1,3-benzothiadiazin-4 -one2,2-dioxide, 3-Phenacyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide, 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide
| Molecular Formula | C15H12N2O4S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0518 |
| Heavy Atoms | 22 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 40467-23-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CN2C(=O)C3=CC=CC=C3NS2(=O)=O |
| InChIKey | XZWQIXIWIFWYJL-UHFFFAOYSA-N |
Product Overview
1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide (CAS 40467-23-0), with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol. IUPAC: 2,2-dioxo-3-phenacyl-1H-2λ6,1,3-benzothiadiazin-4-one.
Chemical Property Profile of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide
Property Insights of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide
The XLogP value of 3.4 indicates that 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide. Following Lipinski's Rule of Five, 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide 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 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide?
The CAS number of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide is 40467-23-0.
What is the molecular formula of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide?
The molecular formula of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide is C15H12N2O4S.
What is the molecular weight of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide?
The molecular weight of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide is 316.05 g/mol.
Where can I buy 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide?
You can request a quote for 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(2-oxo-2-phenylethyl)-, 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.