2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate
TL;DR: 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate (CAS 865593-72-2) is a chemical compound with molecular formula C16H8Br2O5S and molecular weight 469.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-2-thiophen-2-ylethyl) 6,8-dibromo-2-oxochromene-3-carboxylate
Also Known As: IFLab1_005966, IDI1_011369, 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate, F1452-0099, (2-thenoyl)methyl 6,8-dibromo-3-coumarincarboxylate
| Molecular Formula | C16H8Br2O5S |
|---|---|
| Molecular Weight | 469.85 g/mol |
| LogP | 4.4192 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 469.84592 |
| Heavy Atoms | 24 |
| Complexity | 991.6156 |
Chemical Identifiers
| CAS Number | 865593-72-2 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)COC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br |
Product Overview
2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate (CAS 865593-72-2), with molecular formula C16H8Br2O5S and molecular weight 469.85 g/mol. IUPAC: (2-oxo-2-thiophen-2-ylethyl) 6,8-dibromo-2-oxochromene-3-carboxylate.
Chemical Property Profile of 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate
Property Insights of 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate
The XLogP value of 4.4192 indicates that 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate. Following Lipinski's Rule of Five, 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-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 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
The CAS number of 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate is 865593-72-2.
What is the molecular formula of 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
The molecular formula of 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate is C16H8Br2O5S.
What is the molecular weight of 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
The molecular weight of 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate is 469.85 g/mol.
Where can I buy 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
You can request a quote for 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2-(thiophen-2-yl)ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.