![4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL structure](/static/products/6913/691385-06-5.webp)
4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL
TL;DR: 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL (CAS 691385-06-5) is a chemical compound with molecular formula C14H15F3N4O2S and molecular weight 360.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C14H15F3N4O2S |
|---|---|
| Molecular Weight | 360.09 g/mol |
| LogP | 3.63749 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.0868 |
| Heavy Atoms | 24 |
| Complexity | 796.0477 |
Chemical Identifiers
| CAS Number | 691385-06-5 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C(F)(F)F)OC |
Product Overview
4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL (CAS 691385-06-5), with molecular formula C14H15F3N4O2S and molecular weight 360.09 g/mol. IUPAC: 4-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL
Property Insights of 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL
The XLogP value of 3.63749 indicates that 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL. Following Lipinski's Rule of Five, 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL has 1 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 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL?
The CAS number of 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL is 691385-06-5.
What is the molecular formula of 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL?
The molecular formula of 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL is C14H15F3N4O2S.
What is the molecular weight of 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL?
The molecular weight of 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL is 360.09 g/mol.
Where can I buy 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL?
You can request a quote for 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-[(4-ISOPROPOXY-3-METHOXYPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.