![3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate structure](/static/products/330/330181-45-8.png)
3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate
TL;DR: 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate (CAS 330181-45-8) is a chemical compound with molecular formula C20H12N2O6S and molecular weight 408.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxochromen-7-yl] acetate
Also Known As: BAS 01020329, 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate, 3-(4-(4-nitrophenyl)thiazol-2-yl)-2-oxo-2H-chromen-7-yl acetate, [3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxochromen-7-yl] acetate, Acetic acid 3-[4-(4-nitro-phenyl)-thiazol-2-yl]-2-oxo-2H-chromen-7-yl ester
| Molecular Formula | C20H12N2O6S |
|---|---|
| Molecular Weight | 408.04 g/mol |
| LogP | 4.417 |
| Topological Polar Surface Area | 112.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.0416 |
| Heavy Atoms | 29 |
| Complexity | 1306.8032 |
Chemical Identifiers
| CAS Number | 330181-45-8 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate (CAS 330181-45-8), with molecular formula C20H12N2O6S and molecular weight 408.04 g/mol. IUPAC: [3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxochromen-7-yl] acetate.
Chemical Property Profile of 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate
Property Insights of 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate
The XLogP value of 4.417 indicates that 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl 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 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate?
The CAS number of 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate is 330181-45-8.
What is the molecular formula of 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate?
The molecular formula of 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate is C20H12N2O6S.
What is the molecular weight of 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate?
The molecular weight of 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate is 408.04 g/mol.
Where can I buy 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate?
You can request a quote for 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-oxo-2H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.