3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione
TL;DR: 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione (CAS 79726-08-2) is a chemical compound with molecular formula C8H7NO3S and molecular weight 197.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2,3-dihydro-1λ6,3-benzothiazin-4-one
Also Known As: 1,1-dioxo-2,3-dihydro-1, 2H-1,3-benzothiazin-4(3H)-one 1,1-dioxide, 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione, 1,1-dioxo-2,3-dihydro-1lambda6,3-benzothiazin-4-one, 2,3-Dihydro-4H-benzo[e][1,3]thiazin-4-one 1,1-dioxide
| Molecular Formula | C8H7NO3S |
|---|---|
| Molecular Weight | 197.01 g/mol |
| LogP | 0.1612 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.01466 |
| Heavy Atoms | 13 |
| Complexity | 464.0324 |
Chemical Identifiers
| CAS Number | 79726-08-2 |
|---|---|
| SMILES | C1NC(=O)C2=CC=CC=C2S1(=O)=O |
Product Overview
3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione (CAS 79726-08-2), with molecular formula C8H7NO3S and molecular weight 197.01 g/mol. IUPAC: 1,1-dioxo-2,3-dihydro-1λ6,3-benzothiazin-4-one.
Chemical Property Profile of 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione
Property Insights of 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione
The XLogP value of 0.1612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione. Following Lipinski's Rule of Five, 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione has 1 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 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione?
The CAS number of 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione is 79726-08-2.
What is the molecular formula of 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione?
The molecular formula of 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione is C8H7NO3S.
What is the molecular weight of 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione?
The molecular weight of 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione is 197.01 g/mol.
Where can I buy 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione?
You can request a quote for 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2H-1lambda6,3-benzothiazine-1,1,4-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.