![3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione structure](/static/products/3384/338415-53-5.webp)
3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione
TL;DR: 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione (CAS 338415-53-5) is a chemical compound with molecular formula C16H10F3NO2S and molecular weight 337.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazine-2,4-dione
Also Known As: 3N-539S, 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione, 3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazine-2,4-dione, 3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydro-2H-1,3-benzothiazine-2,4-dione, 3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-benzothiazine-2,4-dione
| Molecular Formula | C16H10F3NO2S |
|---|---|
| Molecular Weight | 337.04 g/mol |
| LogP | 3.4903 |
| Topological Polar Surface Area | 39.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.03842 |
| Heavy Atoms | 23 |
| Complexity | 988.7624 |
Chemical Identifiers
| CAS Number | 338415-53-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=O)S2)CC3=CC(=CC=C3)C(F)(F)F |
Product Overview
3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione (CAS 338415-53-5), with molecular formula C16H10F3NO2S and molecular weight 337.04 g/mol. IUPAC: 3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazine-2,4-dione.
Chemical Property Profile of 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione
Property Insights of 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione
The XLogP value of 3.4903 indicates that 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.07 Ų, 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione 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 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione?
The CAS number of 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione is 338415-53-5.
What is the molecular formula of 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione?
The molecular formula of 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione is C16H10F3NO2S.
What is the molecular weight of 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione?
The molecular weight of 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione is 337.04 g/mol.
Where can I buy 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione?
You can request a quote for 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(trifluoromethyl)benzyl]-2H-1,3-benzothiazine-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.