(E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate
TL;DR: (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate (CAS 683250-34-2) is a chemical compound with molecular formula C21H15N3O5S and molecular weight 421.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxyphenyl] acetate
Also Known As: AB00673301-01, F1110-0043, (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate, 4-[(1E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]-2-methoxyphenyl acetate, [4-[(E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxyphenyl] acetate
| Molecular Formula | C21H15N3O5S |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 4.71638 |
| Topological Polar Surface Area | 115.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.07324 |
| Heavy Atoms | 30 |
| Complexity | 1193.3477 |
Chemical Identifiers
| CAS Number | 683250-34-2 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])OC |
Product Overview
(E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate (CAS 683250-34-2), with molecular formula C21H15N3O5S and molecular weight 421.07 g/mol. IUPAC: [4-[(E)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxyphenyl] acetate.
Chemical Property Profile of (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate
Property Insights of (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate
The XLogP value of 4.71638 indicates that (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate. Following Lipinski's Rule of Five, (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate has 0 hydrogen bond donor(s) and 8 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)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate?
The CAS number of (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate is 683250-34-2.
What is the molecular formula of (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate?
The molecular formula of (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate is C21H15N3O5S.
What is the molecular weight of (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate?
The molecular weight of (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate is 421.07 g/mol.
Where can I buy (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate?
You can request a quote for (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)-2-methoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.