![2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide structure](/static/products/6851/685120-06-3.webp)
2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide
TL;DR: 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide (CAS 685120-06-3) is a chemical compound with molecular formula C13H13F3N4O2S2 and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[[2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetyl]amino]thiourea
Also Known As: 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide, 1-methyl-3-[[2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetyl]amino]thiourea
| Molecular Formula | C13H13F3N4O2S2 |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 1.2692 |
| Topological Polar Surface Area | 73.47 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.0432 |
| Heavy Atoms | 24 |
| Complexity | 681.6709 |
Chemical Identifiers
| CAS Number | 685120-06-3 |
|---|---|
| SMILES | CNC(=S)NNC(=O)CN1C(=O)CSC2=C1C=C(C=C2)C(F)(F)F |
Product Overview
2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide (CAS 685120-06-3), with molecular formula C13H13F3N4O2S2 and molecular weight 378.04 g/mol. IUPAC: 1-methyl-3-[[2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetyl]amino]thiourea.
Chemical Property Profile of 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide
Property Insights of 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide
The XLogP value of 1.2692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide. The TPSA of 73.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide. Following Lipinski's Rule of Five, 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide has 3 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 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide?
The CAS number of 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide is 685120-06-3.
What is the molecular formula of 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide?
The molecular formula of 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide is C13H13F3N4O2S2.
What is the molecular weight of 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide?
The molecular weight of 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide is 378.04 g/mol.
Where can I buy 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide?
You can request a quote for 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazine-4-acetic acid 2-[(methylamino)thioxomethyl]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.