1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide
TL;DR: 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide (CAS 40864-18-4) is a chemical compound with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-2,2-dioxo-2λ6,1,3-benzothiadiazin-4-one
Also Known As: 1,3-diethyl-2,2-dioxo-2, 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide, 1,3-Diethyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide, 1,3-Diethyl-1H-2,1,3-benzothiadiazin-4 -one2,2-dioxide, 1,3-Diethyl-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide #
| Molecular Formula | C11H14N2O3S |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.07251 |
| Heavy Atoms | 17 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 40864-18-4 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C(=O)N(S1(=O)=O)CC |
| InChIKey | PQDAEFFDFOEBNF-UHFFFAOYSA-N |
Product Overview
1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide (CAS 40864-18-4), with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol. IUPAC: 1,3-diethyl-2,2-dioxo-2λ6,1,3-benzothiadiazin-4-one.
Chemical Property Profile of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide
Property Insights of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide. Following Lipinski's Rule of Five, 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide 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 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide?
The CAS number of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide is 40864-18-4.
What is the molecular formula of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide?
The molecular formula of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide is C11H14N2O3S.
What is the molecular weight of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide?
The molecular weight of 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide is 254.07 g/mol.
Where can I buy 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide?
You can request a quote for 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 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, 1,3-diethyl-, 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1H-2,1,3-Benzothiadiazin-4(3H)-one, 1,3-diethyl-, 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.