(E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate
TL;DR: (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate (CAS 683250-08-0) is a chemical compound with molecular formula C20H13N3O4S and molecular weight 391.06 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-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
Also Known As: (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate, AB00673297-01, F1110-0018, METHYL 4-[(1E)-2-CYANO-2-[4-(4-NITROPHENYL)-1,3-THIAZOL-2-YL]ETH-1-EN-1-YL]BENZOATE, methyl 4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
| Molecular Formula | C20H13N3O4S |
|---|---|
| Molecular Weight | 391.06 g/mol |
| LogP | 4.56908 |
| Topological Polar Surface Area | 106.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.06268 |
| Heavy Atoms | 28 |
| Complexity | 1093.7295 |
Chemical Identifiers
| CAS Number | 683250-08-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate (CAS 683250-08-0), with molecular formula C20H13N3O4S and molecular weight 391.06 g/mol. IUPAC: methyl 4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]benzoate.
Chemical Property Profile of (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate
Property Insights of (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate
The XLogP value of 4.56908 indicates that (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)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-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate?
The CAS number of (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate is 683250-08-0.
What is the molecular formula of (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate?
The molecular formula of (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate is C20H13N3O4S.
What is the molecular weight of (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate?
The molecular weight of (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate is 391.06 g/mol.
Where can I buy (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate?
You can request a quote for (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)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-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.