1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide
TL;DR: 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide (CAS 31846-49-8) is a chemical compound with molecular formula C11H9NO3S and molecular weight 235.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dioxo-3-prop-2-ynyl-1H-2λ6,3-benzothiazin-4-one
Also Known As: 2,2-dioxo-3-prop-2-ynyl-1H-2, 3-Propargyl-1H-2,3-benzothiazin-4(3H)-one 2,2-dioxide, 1H-2,3-BENZOTHIAZIN-4(3H)-ONE, 3-(2-PROPYNYL)-, 2,2-DIOXIDE, 3,4-dihydro-4-oxo-3-1h-2,3-benzothiazine2,2-dioxide, E6,3-benzothiazin-4-one
| Molecular Formula | C11H9NO3S |
|---|---|
| Molecular Weight | 235.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.03032 |
| Heavy Atoms | 16 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 31846-49-8 |
|---|---|
| SMILES | C#CCN1C(=O)C2=CC=CC=C2CS1(=O)=O |
| InChIKey | PCUVRILJYXQWBX-UHFFFAOYSA-N |
Product Overview
1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide (CAS 31846-49-8), with molecular formula C11H9NO3S and molecular weight 235.03 g/mol. IUPAC: 2,2-dioxo-3-prop-2-ynyl-1H-2λ6,3-benzothiazin-4-one.
Chemical Property Profile of 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide
Property Insights of 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide. Following Lipinski's Rule of Five, 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide has 0 hydrogen bond donor(s) and 3 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-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide?
The CAS number of 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide is 31846-49-8.
What is the molecular formula of 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide?
The molecular formula of 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide is C11H9NO3S.
What is the molecular weight of 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide?
The molecular weight of 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide is 235.03 g/mol.
Where can I buy 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide?
You can request a quote for 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 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-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1H-2,3-Benzothiazin-4(3H)-one, 3-(2-propynyl)-, 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.