![4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL structure](/static/products/6913/691384-88-0.webp)
4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL
TL;DR: 4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL (CAS 691384-88-0) is a chemical compound with molecular formula C17H14ClFN4O2S and molecular weight 392.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C17H14ClFN4O2S |
|---|---|
| Molecular Weight | 392.05 g/mol |
| LogP | 4.20299 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.051 |
| Heavy Atoms | 26 |
| Complexity | 982.1731 |
Chemical Identifiers
| CAS Number | 691384-88-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=NN2C=NNC2=S)OCC3=C(C=CC=C3Cl)F |
Product Overview
4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL (CAS 691384-88-0), with molecular formula C17H14ClFN4O2S and molecular weight 392.05 g/mol. IUPAC: 4-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL
Property Insights of 4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL
The XLogP value of 4.20299 indicates that 4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-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-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL. Following Lipinski's Rule of Five, 4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-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-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL?
The CAS number of 4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL is 691384-88-0.
What is the molecular formula of 4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL?
The molecular formula of 4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL is C17H14ClFN4O2S.
What is the molecular weight of 4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL?
The molecular weight of 4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL is 392.05 g/mol.
Where can I buy 4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL?
You can request a quote for 4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-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-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-({4-[(2-CHLORO-6-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)AMINO]-1,2,4-TRIAZOLE-3-THIOL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.