N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide
TL;DR: N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide (CAS 677749-55-2) is a chemical compound with molecular formula C12H13F3N2O3S and molecular weight 322.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)benzamide
Also Known As: N-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)benzamide, N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide, 4R-0659, N-(1,1-Dioxidothiomorpholino)-4-(trifluoromethyl)benzamide, N-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-4-(trifluoromethyl)benzamide
| Molecular Formula | C12H13F3N2O3S |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | 1.0806 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.0599 |
| Heavy Atoms | 21 |
| Complexity | 612.1429 |
Chemical Identifiers
| CAS Number | 677749-55-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CCN1NC(=O)C2=CC=C(C=C2)C(F)(F)F |
Product Overview
N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide (CAS 677749-55-2), with molecular formula C12H13F3N2O3S and molecular weight 322.06 g/mol. IUPAC: N-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)benzamide.
Chemical Property Profile of N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide
Property Insights of N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide
The XLogP value of 1.0806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide. Following Lipinski's Rule of Five, N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide has 1 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 N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide?
The CAS number of N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide is 677749-55-2.
What is the molecular formula of N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide?
The molecular formula of N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide is C12H13F3N2O3S.
What is the molecular weight of N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide?
The molecular weight of N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide is 322.06 g/mol.
Where can I buy N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide?
You can request a quote for N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-(trifluoromethyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.