![methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate structure](/static/products/683/683249-92-5.png)
methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate
TL;DR: methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate (CAS 683249-92-5) is a chemical compound with molecular formula C20H14N2O2S and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate
Also Known As: AB00673296-01, methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate, F1110-0001, methyl 4-[(1E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)eth-1-en-1-yl]benzoate, (E)-methyl 4-(2-cyano-2-(4-phenylthiazol-2-yl)vinyl)benzoate
| Molecular Formula | C20H14N2O2S |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 4.66088 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.0776 |
| Heavy Atoms | 25 |
| Complexity | 951.36615 |
Chemical Identifiers
| CAS Number | 683249-92-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=CC=C3 |
Product Overview
methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate (CAS 683249-92-5), with molecular formula C20H14N2O2S and molecular weight 346.08 g/mol. IUPAC: methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate.
Chemical Property Profile of methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate
Property Insights of methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate
The XLogP value of 4.66088 indicates that methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate has 0 hydrogen bond donor(s) and 5 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 methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate?
The CAS number of methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate is 683249-92-5.
What is the molecular formula of methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate?
The molecular formula of methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate is C20H14N2O2S.
What is the molecular weight of methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate?
The molecular weight of methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate is 346.08 g/mol.
Where can I buy methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate?
You can request a quote for methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.