![N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide structure](/static/products/4585/458527-29-2.webp)
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
TL;DR: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide (CAS 458527-29-2) is a chemical compound with molecular formula C21H21F3N2O4S and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
Also Known As: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide, AF-399/41219746, F1312-0023, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide, N-(3,4-dimethoxyphenethyl)-2-(3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamide
| Molecular Formula | C21H21F3N2O4S |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 3.8844 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.1174 |
| Heavy Atoms | 31 |
| Complexity | 981.5826 |
Chemical Identifiers
| CAS Number | 458527-29-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)OC |
Product Overview
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide (CAS 458527-29-2), with molecular formula C21H21F3N2O4S and molecular weight 454.12 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide.
Chemical Property Profile of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
Property Insights of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
The XLogP value of 3.8844 indicates that N-[2-(3,4-dimethoxyphenyl)ethyl]-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. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide has 2 hydrogen bond donor(s) and 5 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 N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide?
The CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide is 458527-29-2.
What is the molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide?
The molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide is C21H21F3N2O4S.
What is the molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide?
The molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide is 454.12 g/mol.
Where can I buy N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide?
You can request a quote for N-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-dimethoxyphenyl)ethyl]-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.