![4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione structure](/static/products/488/488094-67-3.png)
4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione (CAS 488094-67-3) is a chemical compound with molecular formula C19H17ClN4O2S and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-((2-CL-3-PH-2-PROPENYLIDENE)AMINO)-5-(3,4-DI-MEO-PH)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-((3Z,1E)-3-chloro-4-phenyl-1-azabuta-1,3-dienyl)-5-(3,4-dimethoxyphenyl)-1,2 ,4-triazole-3-thiol, 4-((E)-((Z)-2-chloro-3-phenylallylidene)amino)-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C19H17ClN4O2S |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 4.73869 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.07608 |
| Heavy Atoms | 27 |
| Complexity | 1041.3633 |
Chemical Identifiers
| CAS Number | 488094-67-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NNC(=S)N2/N=C/C(=C/C3=CC=CC=C3)/Cl)OC |
Product Overview
4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione (CAS 488094-67-3), with molecular formula C19H17ClN4O2S and molecular weight 400.08 g/mol. IUPAC: 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 4.73869 indicates that 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione 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)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione 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)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione is 488094-67-3.
What is the molecular formula of 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione is C19H17ClN4O2S.
What is the molecular weight of 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione is 400.08 g/mol.
Where can I buy 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.