![N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide structure](/static/products/3053/305372-96-7.webp)
N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
TL;DR: N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide (CAS 305372-96-7) is a chemical compound with molecular formula C18H13F5N2O2S2 and molecular weight 448.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
Also Known As: N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide, AF-399/12856009, F1065-0398, N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide, N-(4-((difluoromethyl)thio)phenyl)-2-(3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamide
| Molecular Formula | C18H13F5N2O2S2 |
|---|---|
| Molecular Weight | 448.03 g/mol |
| LogP | 5.4617 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.03387 |
| Heavy Atoms | 29 |
| Complexity | 919.45776 |
Chemical Identifiers
| CAS Number | 305372-96-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)SC(F)F |
Product Overview
N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide (CAS 305372-96-7), with molecular formula C18H13F5N2O2S2 and molecular weight 448.03 g/mol. IUPAC: N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide.
Chemical Property Profile of N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
Property Insights of N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
The XLogP value of 5.4617 indicates that N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide?
The CAS number of N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide is 305372-96-7.
What is the molecular formula of N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide?
The molecular formula of N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide is C18H13F5N2O2S2.
What is the molecular weight of N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide?
The molecular weight of N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide is 448.03 g/mol.
Where can I buy N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide?
You can request a quote for N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.