![ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate structure](/static/products/5011/501112-66-9.webp)
ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate
TL;DR: ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate (CAS 501112-66-9) is a chemical compound with molecular formula C22H22N6O3S4 and molecular weight 546.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-(2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4-methylthiazole-5-carboxylate, ethyl 2-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C22H22N6O3S4 |
|---|---|
| Molecular Weight | 546.06 g/mol |
| LogP | 5.03852 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 546.0636 |
| Heavy Atoms | 35 |
| Complexity | 1329.4222 |
Chemical Identifiers
| CAS Number | 501112-66-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=C(N2CC=C)CSC3=NC4=CC=CC=C4S3)C |
Product Overview
ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate (CAS 501112-66-9), with molecular formula C22H22N6O3S4 and molecular weight 546.06 g/mol. IUPAC: ethyl 2-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate
Property Insights of ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate
The XLogP value of 5.03852 indicates that ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate?
The CAS number of ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate is 501112-66-9.
What is the molecular formula of ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate?
The molecular formula of ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate is C22H22N6O3S4.
What is the molecular weight of ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate?
The molecular weight of ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate is 546.06 g/mol.
Where can I buy ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate?
You can request a quote for ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{2-[5-(benzothiazol-2-ylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylth io)]acetylamino}-4-methyl-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.