![(3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one structure](/static/products/6802/680211-60-3.webp)
(3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
TL;DR: (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one (CAS 680211-60-3) is a chemical compound with molecular formula C13H11ClN4O3S2 and molecular weight 370.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
Also Known As: (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one, 3-{[(4-Chloro-6-methylpyrimidin-2-yl)amino]methylidene}-1-methyl-1,2,3,4-tetrahydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-2,2,4-trione
| Molecular Formula | C13H11ClN4O3S2 |
|---|---|
| Molecular Weight | 370.00 g/mol |
| LogP | 2.41572 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.99612 |
| Heavy Atoms | 23 |
| Complexity | 916.1963 |
Chemical Identifiers
| CAS Number | 680211-60-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N/C=C/2\C(=O)C3=C(C=CS3)N(S2(=O)=O)C)Cl |
Product Overview
(3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one (CAS 680211-60-3), with molecular formula C13H11ClN4O3S2 and molecular weight 370.00 g/mol. IUPAC: (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one.
Chemical Property Profile of (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
Property Insights of (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
The XLogP value of 2.41572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one. Following Lipinski's Rule of Five, (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one has 1 hydrogen bond donor(s) and 7 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 (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one?
The CAS number of (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one is 680211-60-3.
What is the molecular formula of (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one?
The molecular formula of (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one is C13H11ClN4O3S2.
What is the molecular weight of (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one?
The molecular weight of (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one is 370.00 g/mol.
Where can I buy (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one?
You can request a quote for (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.