![2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide structure](/static/products/4953/495377-80-5.webp)
2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide
TL;DR: 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide (CAS 495377-80-5) is a chemical compound with molecular formula C20H20BrClN6OS and molecular weight 506.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-bromophenyl)methylideneamino]-2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide, N-[(4-bromophenyl)methylideneamino]-2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H20BrClN6OS |
|---|---|
| Molecular Weight | 506.03 g/mol |
| LogP | 4.5684 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 506.0291 |
| Heavy Atoms | 30 |
| Complexity | 1007.1411 |
Chemical Identifiers
| CAS Number | 495377-80-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NN=CC2=CC=C(C=C2)Br)CNC3=CC=C(C=C3)Cl |
Product Overview
2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide (CAS 495377-80-5), with molecular formula C20H20BrClN6OS and molecular weight 506.03 g/mol. IUPAC: N-[(4-bromophenyl)methylideneamino]-2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide
Property Insights of 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide
The XLogP value of 4.5684 indicates that 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide. Following Lipinski's Rule of Five, 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide has 2 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 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide?
The CAS number of 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide is 495377-80-5.
What is the molecular formula of 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide?
The molecular formula of 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide is C20H20BrClN6OS.
What is the molecular weight of 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide?
The molecular weight of 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide is 506.03 g/mol.
Where can I buy 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide?
You can request a quote for 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-[[(4-Chlorophenyl)amino]methyl]-4-ethyl-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(4-bromophenyl)methylene]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.