![ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate structure](/static/products/5011/501112-68-1.webp)
ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate
TL;DR: ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate (CAS 501112-68-1) is a chemical compound with molecular formula C24H23N5O3S3 and molecular weight 525.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate, 4-{2-[4-allyl-5-(benzothiazol-2-ylsulfanylmethyl)-4h-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-benzoic acid ethyl ester, ethyl 4-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, ethyl 4-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
| Molecular Formula | C24H23N5O3S3 |
|---|---|
| Molecular Weight | 525.10 g/mol |
| LogP | 5.2736 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 525.0963 |
| Heavy Atoms | 35 |
| Complexity | 1300.9415 |
Chemical Identifiers
| CAS Number | 501112-68-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CSC3=NC4=CC=CC=C4S3 |
Product Overview
ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate (CAS 501112-68-1), with molecular formula C24H23N5O3S3 and molecular weight 525.10 g/mol. IUPAC: ethyl 4-[[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 ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate
Property Insights of ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate
The XLogP value of 5.2736 indicates that ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate. Following Lipinski's Rule of Five, ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}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 ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate?
The CAS number of ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate is 501112-68-1.
What is the molecular formula of ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate?
The molecular formula of ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate is C24H23N5O3S3.
What is the molecular weight of ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate?
The molecular weight of ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate is 525.10 g/mol.
Where can I buy ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate?
You can request a quote for ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl-1,2,4-triazol-3-ylth io]acetylamino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.