3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate
TL;DR: 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate (CAS 869080-33-1) is a chemical compound with molecular formula C21H14O5S and molecular weight 378.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-methoxyphenyl)-2-oxochromen-7-yl] thiophene-2-carboxylate
Also Known As: 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate, [3-(4-methoxyphenyl)-2-oxochromen-7-yl] thiophene-2-carboxylate, F1862-0301, 3-(4-methoxyphenyl)-2-oxochromen-7-yl thiophene-2-carboxylate
| Molecular Formula | C21H14O5S |
|---|---|
| Molecular Weight | 378.06 g/mol |
| LogP | 4.7493 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.05618 |
| Heavy Atoms | 27 |
| Complexity | 1157.629 |
Chemical Identifiers
| CAS Number | 869080-33-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC=CS4)OC2=O |
Product Overview
3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate (CAS 869080-33-1), with molecular formula C21H14O5S and molecular weight 378.06 g/mol. IUPAC: [3-(4-methoxyphenyl)-2-oxochromen-7-yl] thiophene-2-carboxylate.
Chemical Property Profile of 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate
Property Insights of 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate
The XLogP value of 4.7493 indicates that 3-(4-methoxyphenyl)-2-oxo-2H-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-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 6 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-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate?
The CAS number of 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate is 869080-33-1.
What is the molecular formula of 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate?
The molecular formula of 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate is C21H14O5S.
What is the molecular weight of 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate?
The molecular weight of 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate is 378.06 g/mol.
Where can I buy 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate?
You can request a quote for 3-(4-methoxyphenyl)-2-oxo-2H-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-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.