![2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide structure](/static/products/866/866050-63-7.png)
2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide
TL;DR: 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide (CAS 866050-63-7) is a chemical compound with molecular formula C17H16F3N3O2S and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]thiourea
Also Known As: 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide, [[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]thiourea, [(3-METHOXY-4-{[3-(TRIFLUOROMETHYL)PHENYL]METHOXY}PHENYL)METHYLIDENE]AMINOTHIOUREA
| Molecular Formula | C17H16F3N3O2S |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 3.4601 |
| Topological Polar Surface Area | 68.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.09152 |
| Heavy Atoms | 26 |
| Complexity | 810.0804 |
Chemical Identifiers
| CAS Number | 866050-63-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=NNC(=S)N)OCC2=CC(=CC=C2)C(F)(F)F |
Product Overview
2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide (CAS 866050-63-7), with molecular formula C17H16F3N3O2S and molecular weight 383.09 g/mol. IUPAC: [[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]thiourea.
Chemical Property Profile of 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide
Property Insights of 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide
The XLogP value of 3.4601 indicates that 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide. Following Lipinski's Rule of Five, 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide has 2 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 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide?
The CAS number of 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide is 866050-63-7.
What is the molecular formula of 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide?
The molecular formula of 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide is C17H16F3N3O2S.
What is the molecular weight of 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide?
The molecular weight of 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide is 383.09 g/mol.
Where can I buy 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide?
You can request a quote for 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)methylidene]-1-hydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.