![ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate structure](/static/products/4894/489463-29-8.webp)
ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate
TL;DR: ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate (CAS 489463-29-8) is a chemical compound with molecular formula C19H17N5O4S4 and molecular weight 507.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
Also Known As: ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate, ethyl [(2Z)-2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]acetate, ethyl 2-(2-(2-((5-((benzo[d]thiazol-2-ylthio)methyl)-1,3,4-oxadiazol-2-yl)thio)acetamido)thiazol-4-yl)acetate, ethyl 2-(2-{2-[5-(benzothiazol-2-ylthiomethyl)-1,3,4-oxadiazol-2-ylthio]acetyl amino}-1,3-thiazol-4-yl)acetate, ethyl 2-[2-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
| Molecular Formula | C19H17N5O4S4 |
|---|---|
| Molecular Weight | 507.02 g/mol |
| LogP | 4.2645 |
| Topological Polar Surface Area | 120.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 507.01633 |
| Heavy Atoms | 32 |
| Complexity | 1188.2368 |
Chemical Identifiers
| CAS Number | 489463-29-8 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NN=C(O2)CSC3=NC4=CC=CC=C4S3 |
Product Overview
ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate (CAS 489463-29-8), with molecular formula C19H17N5O4S4 and molecular weight 507.02 g/mol. IUPAC: ethyl 2-[2-[[2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate.
Chemical Property Profile of ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate
Property Insights of ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate
The XLogP value of 4.2645 indicates that ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate. Following Lipinski's Rule of Five, ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate has 1 hydrogen bond donor(s) and 12 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-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate?
The CAS number of ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate is 489463-29-8.
What is the molecular formula of ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate?
The molecular formula of ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate is C19H17N5O4S4.
What is the molecular weight of ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate?
The molecular weight of ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate is 507.02 g/mol.
Where can I buy ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate?
You can request a quote for ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2-{[({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-1,3-thiazol-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.