(E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate
TL;DR: (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate (CAS 683250-07-9) is a chemical compound with molecular formula C22H18N2O4S and molecular weight 406.10 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-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
Also Known As: F1110-0017, methyl 4-[(1E)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]benzoate, (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate, methyl 4-[(E)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
| Molecular Formula | C22H18N2O4S |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 4.67808 |
| Topological Polar Surface Area | 81.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.09872 |
| Heavy Atoms | 29 |
| Complexity | 1094.7452 |
Chemical Identifiers
| CAS Number | 683250-07-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CSC(=N2)/C(=C/C3=CC=C(C=C3)C(=O)OC)/C#N)OC |
Product Overview
(E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate (CAS 683250-07-9), with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol. IUPAC: methyl 4-[(E)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate.
Chemical Property Profile of (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate
Property Insights of (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate
The XLogP value of 4.67808 indicates that (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate has 0 hydrogen bond donor(s) and 7 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 (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate?
The CAS number of (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate is 683250-07-9.
What is the molecular formula of (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate?
The molecular formula of (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate is C22H18N2O4S.
What is the molecular weight of (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate?
The molecular weight of (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate is 406.10 g/mol.
Where can I buy (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate?
You can request a quote for (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)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-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-(2-cyano-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)vinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.