![[4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate structure](/static/products/333/333414-29-2.png)
[4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate
TL;DR: [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate (CAS 333414-29-2) 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.
[4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate
Also Known As: BAS 02590131, [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate, 4-[2-cyano-2-(4-{4-nitrophenyl}-1,3-thiazol-2-yl)vinyl]phenyl acetate, (E)-4-(2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)phenyl acetate, 4-{(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}phenyl acetate
| Molecular Formula | C20H13N3O4S |
|---|---|
| Molecular Weight | 391.06 g/mol |
| LogP | 4.70778 |
| 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 | 333414-29-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
[4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate (CAS 333414-29-2), with molecular formula C20H13N3O4S and molecular weight 391.06 g/mol. IUPAC: [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate.
Chemical Property Profile of [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate
Property Insights of [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate
The XLogP value of 4.70778 indicates that [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate 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 [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate. Following Lipinski's Rule of Five, [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate 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 [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate?
The CAS number of [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate is 333414-29-2.
What is the molecular formula of [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate?
The molecular formula of [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate is C20H13N3O4S.
What is the molecular weight of [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate?
The molecular weight of [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate is 391.06 g/mol.
Where can I buy [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate?
You can request a quote for [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.