(E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate
TL;DR: (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate (CAS 683249-94-7) is a chemical compound with molecular formula C20H13BrN2O2S and molecular weight 423.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]benzoate
Also Known As: F1110-0003, methyl 4-[(1E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoeth-1-en-1-yl]benzoate, (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate, methyl 4-[(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]benzoate, Methyl 4-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]benzoate
| Molecular Formula | C20H13BrN2O2S |
|---|---|
| Molecular Weight | 423.99 g/mol |
| LogP | 5.42338 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.9881 |
| Heavy Atoms | 26 |
| Complexity | 999.54047 |
Chemical Identifiers
| CAS Number | 683249-94-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)Br |
Product Overview
(E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate (CAS 683249-94-7), with molecular formula C20H13BrN2O2S and molecular weight 423.99 g/mol. IUPAC: methyl 4-[(E)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]benzoate.
Chemical Property Profile of (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate
Property Insights of (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate
The XLogP value of 5.42338 indicates that (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)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 (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate?
The CAS number of (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate is 683249-94-7.
What is the molecular formula of (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate?
The molecular formula of (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate is C20H13BrN2O2S.
What is the molecular weight of (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate?
The molecular weight of (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate is 423.99 g/mol.
Where can I buy (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate?
You can request a quote for (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-(2-(4-(4-bromophenyl)thiazol-2-yl)-2-cyanovinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.