![Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate structure](/static/products/3387/338778-47-5.webp)
Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate
TL;DR: Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate (CAS 338778-47-5) is a chemical compound with molecular formula C21H17N3O2S2 and molecular weight 407.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate
Also Known As: methyl 2-({[5-(2-anilinovinyl)-4-cyano-3-isothiazolyl]sulfanyl}methyl)benzenecarboxylate, methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate
| Molecular Formula | C21H17N3O2S2 |
|---|---|
| Molecular Weight | 407.08 g/mol |
| LogP | 5.17648 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.07623 |
| Heavy Atoms | 28 |
| Complexity | 1023.63 |
Chemical Identifiers
| CAS Number | 338778-47-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1CSC2=NSC(=C2C#N)C=CNC3=CC=CC=C3 |
Product Overview
Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate (CAS 338778-47-5), with molecular formula C21H17N3O2S2 and molecular weight 407.08 g/mol. IUPAC: methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate
Property Insights of Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate
The XLogP value of 5.17648 indicates that Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate. Following Lipinski's Rule of Five, Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate?
The CAS number of Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate is 338778-47-5.
What is the molecular formula of Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate?
The molecular formula of Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate is C21H17N3O2S2.
What is the molecular weight of Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate?
The molecular weight of Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate is 407.08 g/mol.
Where can I buy Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate?
You can request a quote for Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[5-(2-anilinoethenyl)-4-cyano-1,2-thiazol-3-yl]sulfanylmethyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.