![potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate structure](/static/products/1023/1023863-07-1.webp)
potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
TL;DR: potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate (CAS 1023863-07-1) is a chemical compound with molecular formula C22H18KN5O3S3 and molecular weight 535.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium 2-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, F1344-0013, potassium 2-[2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate, potassium;2-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, potassium 2-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C22H18KN5O3S3 |
|---|---|
| Molecular Weight | 535.02 g/mol |
| LogP | 0.4644 |
| Topological Polar Surface Area | 112.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 535.0209 |
| Heavy Atoms | 34 |
| Complexity | 1291.1187 |
Chemical Identifiers
| CAS Number | 1023863-07-1 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)[O-])CSC3=NC4=CC=CC=C4S3.[K+] |
Product Overview
potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate (CAS 1023863-07-1), with molecular formula C22H18KN5O3S3 and molecular weight 535.02 g/mol. IUPAC: potassium 2-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
Property Insights of potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
The XLogP value of 0.4644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate. The TPSA of 112.83 Ų falls within the moderate polarity range, balancing permeability and solubility for potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
The CAS number of potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate is 1023863-07-1.
What is the molecular formula of potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
The molecular formula of potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate is C22H18KN5O3S3.
What is the molecular weight of potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
The molecular weight of potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate is 535.02 g/mol.
Where can I buy potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
You can request a quote for potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for potassium 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.