(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate
TL;DR: (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate (CAS 524032-92-6) is a chemical compound with molecular formula C25H23N5OS and molecular weight 441.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl] (1Z)-N-anilino-2-oxopropanimidothioate
Also Known As: (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate, (Z)-5-phenethyl-4-phenyl-4H-1,2,4-triazol-3-yl 2-oxo-N'-phenylpropanehydrazonothioate, 4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl (1Z)-2-oxo-N-phenylpropanehydrazonothioate
| Molecular Formula | C25H23N5OS |
|---|---|
| Molecular Weight | 441.16 g/mol |
| LogP | 5.1592 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.16232 |
| Heavy Atoms | 32 |
| Complexity | 1191.0114 |
Chemical Identifiers
| CAS Number | 524032-92-6 |
|---|---|
| SMILES | CC(=O)/C(=N/NC1=CC=CC=C1)/SC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4 |
Product Overview
(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate (CAS 524032-92-6), with molecular formula C25H23N5OS and molecular weight 441.16 g/mol. IUPAC: [4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl] (1Z)-N-anilino-2-oxopropanimidothioate.
Chemical Property Profile of (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate
Property Insights of (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate
The XLogP value of 5.1592 indicates that (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate. Following Lipinski's Rule of Five, (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate has 1 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-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate?
The CAS number of (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate is 524032-92-6.
What is the molecular formula of (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate?
The molecular formula of (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate is C25H23N5OS.
What is the molecular weight of (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate?
The molecular weight of (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate is 441.16 g/mol.
Where can I buy (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate?
You can request a quote for (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (5-phenethyl-4-phenyl-1,2,4-triazol-3-yl) (1Z)-N-anilino-2-oxopropanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.