![[(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE structure](/static/products/3182/318239-32-6.webp)
[(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE
TL;DR: [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE (CAS 318239-32-6) is a chemical compound with molecular formula C25H26F3N3O3S and molecular weight 505.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[5-[(4-tert-butylphenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate
Also Known As: [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE, [[5-[(4-tert-butylphenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate, 5-{[4-(tert-butyl)benzyl]sulfanyl}-4-({[(4-methoxybenzoyl)oxy]imino}methyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
| Molecular Formula | C25H26F3N3O3S |
|---|---|
| Molecular Weight | 505.16 g/mol |
| LogP | 6.2282 |
| Topological Polar Surface Area | 65.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.1647 |
| Heavy Atoms | 35 |
| Complexity | 1196.1707 |
Chemical Identifiers
| CAS Number | 318239-32-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=NN2C)C(F)(F)F)C=NOC(=O)C3=CC=C(C=C3)OC |
Product Overview
[(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE (CAS 318239-32-6), with molecular formula C25H26F3N3O3S and molecular weight 505.16 g/mol. IUPAC: [[5-[(4-tert-butylphenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate.
Chemical Property Profile of [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE
Property Insights of [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE
The XLogP value of 6.2282 indicates that [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.71 Ų falls within the moderate polarity range, balancing permeability and solubility for [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE. Following Lipinski's Rule of Five, [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE?
The CAS number of [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE is 318239-32-6.
What is the molecular formula of [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE?
The molecular formula of [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE is C25H26F3N3O3S.
What is the molecular weight of [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE?
The molecular weight of [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE is 505.16 g/mol.
Where can I buy [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE?
You can request a quote for [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE?
Yes, KEHONG BIO provides custom synthesis services for [(5-{[(4-TERT-BUTYLPHENYL)METHYL]SULFANYL}-1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YL)METHYLIDENE]AMINO 4-METHOXYBENZOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.