![2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide structure](/static/products/4428/442872-91-5.webp)
2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
TL;DR: 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CAS 442872-91-5) is a chemical compound with molecular formula C20H17ClF3N3O2S and molecular weight 455.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide, A2635/0112207, 2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide, (2Z)-2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide, (2E)-2-{[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]IMINO}-3-METHYL-N-(3-METHYLPHENYL)-4-OXO-1,3-THIAZINANE-6-CARBOXAMIDE
| Molecular Formula | C20H17ClF3N3O2S |
|---|---|
| Molecular Weight | 455.07 g/mol |
| LogP | 5.25732 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.0682 |
| Heavy Atoms | 30 |
| Complexity | 1026.5966 |
Chemical Identifiers
| CAS Number | 442872-91-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)C2CC(=O)N(C(=NC3=CC(=C(C=C3)Cl)C(F)(F)F)S2)C |
Product Overview
2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CAS 442872-91-5), with molecular formula C20H17ClF3N3O2S and molecular weight 455.07 g/mol. IUPAC: 2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
Property Insights of 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
The XLogP value of 5.25732 indicates that 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide. Following Lipinski's Rule of Five, 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide has 1 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 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The CAS number of 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is 442872-91-5.
What is the molecular formula of 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The molecular formula of 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is C20H17ClF3N3O2S.
What is the molecular weight of 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The molecular weight of 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is 455.07 g/mol.
Where can I buy 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
You can request a quote for 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-chloro-3-(trifluoromethyl)phenyl]imino}-3-methyl-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.