![(7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine structure](/static/products/100/1005618-66-5.png)
(7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
TL;DR: (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 1005618-66-5) is a chemical compound with molecular formula C12H11ClF2N6S and molecular weight 344.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 3-[CHLORO(DIFLUORO)METHYL]-7-[(E)-1-(1,5-DIMETHYL-1H-PYRAZOL-4-YL)METHYLIDENE]-6-METHYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINE
| Molecular Formula | C12H11ClF2N6S |
|---|---|
| Molecular Weight | 344.04 g/mol |
| LogP | 2.97892 |
| Topological Polar Surface Area | 60.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.04224 |
| Heavy Atoms | 22 |
| Complexity | 801.13385 |
Chemical Identifiers
| CAS Number | 1005618-66-5 |
|---|---|
| SMILES | CC1=C(C=NN1C)/C=C/2\C(=NN3C(=NN=C3S2)C(F)(F)Cl)C |
Product Overview
(7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 1005618-66-5), with molecular formula C12H11ClF2N6S and molecular weight 344.04 g/mol. IUPAC: (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Property Insights of (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
The XLogP value of 2.97892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine. The TPSA of 60.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine. Following Lipinski's Rule of Five, (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has 0 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 (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The CAS number of (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 1005618-66-5.
What is the molecular formula of (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular formula of (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is C12H11ClF2N6S.
What is the molecular weight of (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular weight of (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 344.04 g/mol.
Where can I buy (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
You can request a quote for (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
Yes, KEHONG BIO provides custom synthesis services for (7E)-3-[chloro(difluoro)methyl]-7-[(1,5-dimethylpyrazol-4-yl)methylidene]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.