3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate
TL;DR: 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate (CAS 433320-57-1) is a chemical compound with molecular formula C22H16O5S and molecular weight 392.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-ethylphenoxy)-4-oxochromen-7-yl] thiophene-2-carboxylate
Also Known As: ChemDiv3_003621, IDI1_021531, 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate, BRD-K26745253-001-01-7, 3-(4-ethylphenoxy)-4-oxochromen-7-yl thiophene-2-carboxylate
| Molecular Formula | C22H16O5S |
|---|---|
| Molecular Weight | 392.07 g/mol |
| LogP | 5.4284 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.07184 |
| Heavy Atoms | 28 |
| Complexity | 1174.0093 |
Chemical Identifiers
| CAS Number | 433320-57-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4 |
Product Overview
3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate (CAS 433320-57-1), with molecular formula C22H16O5S and molecular weight 392.07 g/mol. IUPAC: [3-(4-ethylphenoxy)-4-oxochromen-7-yl] thiophene-2-carboxylate.
Chemical Property Profile of 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate
Property Insights of 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate
The XLogP value of 5.4284 indicates that 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate. Following Lipinski's Rule of Five, 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate?
The CAS number of 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate is 433320-57-1.
What is the molecular formula of 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate?
The molecular formula of 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate is C22H16O5S.
What is the molecular weight of 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate?
The molecular weight of 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate is 392.07 g/mol.
Where can I buy 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate?
You can request a quote for 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-ethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.