![ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate structure](/static/products/847/847402-87-3.png)
ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate
TL;DR: ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate (CAS 847402-87-3) is a chemical compound with molecular formula C23H23N5O4S2 and molecular weight 497.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate, ethyl 2-(2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl 2-[[2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate, ethyl N-[({4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3(2H)-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)acetyl]glycinate
| Molecular Formula | C23H23N5O4S2 |
|---|---|
| Molecular Weight | 497.12 g/mol |
| LogP | 2.77182 |
| Topological Polar Surface Area | 108.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 497.11914 |
| Heavy Atoms | 34 |
| Complexity | 1391.5272 |
Chemical Identifiers
| CAS Number | 847402-87-3 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2C)CN3C4=CC=CC=C4SC3=O |
Product Overview
ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate (CAS 847402-87-3), with molecular formula C23H23N5O4S2 and molecular weight 497.12 g/mol. IUPAC: ethyl 2-[[2-[[4-(2-methylphenyl)-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate
Property Insights of ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate
The XLogP value of 2.77182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate. The TPSA of 108.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate. Following Lipinski's Rule of Five, ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate?
The CAS number of ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate is 847402-87-3.
What is the molecular formula of ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate?
The molecular formula of ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate is C23H23N5O4S2.
What is the molecular weight of ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate?
The molecular weight of ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate is 497.12 g/mol.
Where can I buy ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate?
You can request a quote for ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)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-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-{[4-(2-methylphenyl)-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.