4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate
TL;DR: 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate (CAS 449739-22-4) is a chemical compound with molecular formula C20H12O4S and molecular weight 348.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-3-phenylchromen-7-yl) thiophene-2-carboxylate
Also Known As: 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate, VU0510174-1, (4-oxo-3-phenylchromen-7-yl) thiophene-2-carboxylate, AB01289440-01, 4-oxo-3-phenylchromen-7-yl thiophene-2-carboxylate
| Molecular Formula | C20H12O4S |
|---|---|
| Molecular Weight | 348.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.04562 |
| Heavy Atoms | 25 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 449739-22-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4 |
| InChIKey | OTUMHQHBLKVATJ-UHFFFAOYSA-N |
Product Overview
4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate (CAS 449739-22-4), with molecular formula C20H12O4S and molecular weight 348.05 g/mol. IUPAC: (4-oxo-3-phenylchromen-7-yl) thiophene-2-carboxylate.
Chemical Property Profile of 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate
Property Insights of 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate
The XLogP value of 4.6 indicates that 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate. Following Lipinski's Rule of Five, 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 5 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-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate?
The CAS number of 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate is 449739-22-4.
What is the molecular formula of 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate?
The molecular formula of 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate is C20H12O4S.
What is the molecular weight of 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate?
The molecular weight of 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate is 348.05 g/mol.
Where can I buy 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate?
You can request a quote for 4-oxo-3-phenyl-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 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-3-phenyl-4H-chromen-7-yl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.