ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate
TL;DR: ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate (CAS 101068-33-1) is a chemical compound with molecular formula C16H12O7 and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(5,7-dihydroxy-4-oxochromen-3-yl)furan-2-carboxylate
Also Known As: TimTec1_005027, SDCCGSBI-0660743.P001, ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate, ethyl 5-(5,7-dihydroxy-4-oxochromen-3-yl)furan-2-carboxylate
| Molecular Formula | C16H12O7 |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 2.6409 |
| Topological Polar Surface Area | 110.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0583 |
| Heavy Atoms | 23 |
| Complexity | 948.7074 |
Chemical Identifiers
| CAS Number | 101068-33-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(O1)C2=COC3=CC(=CC(=C3C2=O)O)O |
Product Overview
ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate (CAS 101068-33-1), with molecular formula C16H12O7 and molecular weight 316.06 g/mol. IUPAC: ethyl 5-(5,7-dihydroxy-4-oxochromen-3-yl)furan-2-carboxylate.
Chemical Property Profile of ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate
Property Insights of ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate
The XLogP value of 2.6409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate. The TPSA of 110.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate has 2 hydrogen bond donor(s) and 7 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 ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate?
The CAS number of ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate is 101068-33-1.
What is the molecular formula of ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate?
The molecular formula of ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate is C16H12O7.
What is the molecular weight of ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate?
The molecular weight of ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate is 316.06 g/mol.
Where can I buy ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate?
You can request a quote for ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.