![N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide structure](/static/products/866/866149-29-3.png)
N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide
TL;DR: N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide (CAS 866149-29-3) is a chemical compound with molecular formula C17H17ClF3N5O3 and molecular weight 431.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]urea
Also Known As: N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide
| Molecular Formula | C17H17ClF3N5O3 |
|---|---|
| Molecular Weight | 431.10 g/mol |
| LogP | 3.5426 |
| Topological Polar Surface Area | 99.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.0972 |
| Heavy Atoms | 29 |
| Complexity | 908.3676 |
Chemical Identifiers
| CAS Number | 866149-29-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=NNC(=O)NN(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)O |
Product Overview
N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide (CAS 866149-29-3), with molecular formula C17H17ClF3N5O3 and molecular weight 431.10 g/mol. IUPAC: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]urea.
Chemical Property Profile of N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide
Property Insights of N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide
The XLogP value of 3.5426 indicates that N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.08 Ų falls within the moderate polarity range, balancing permeability and solubility for N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide. Following Lipinski's Rule of Five, N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide has 3 hydrogen bond donor(s) and 6 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''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide?
The CAS number of N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide is 866149-29-3.
What is the molecular formula of N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide?
The molecular formula of N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide is C17H17ClF3N5O3.
What is the molecular weight of N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide?
The molecular weight of N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide is 431.10 g/mol.
Where can I buy N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide?
You can request a quote for N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide?
Yes, KEHONG BIO provides custom synthesis services for N''-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'''-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]-N''-methylcarbonic dihydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.