3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate
TL;DR: 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate (CAS 446279-72-7) is a chemical compound with molecular formula C22H16O5 and molecular weight 360.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-4-methyl-2-oxochromen-7-yl) furan-2-carboxylate
Also Known As: 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl 2-furoate, 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate, (3-benzyl-4-methyl-2-oxochromen-7-yl) furan-2-carboxylate
| Molecular Formula | C22H16O5 |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 4.50442 |
| Topological Polar Surface Area | 69.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.09976 |
| Heavy Atoms | 27 |
| Complexity | 1154.7603 |
Chemical Identifiers
| CAS Number | 446279-72-7 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CO3)CC4=CC=CC=C4 |
Product Overview
3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate (CAS 446279-72-7), with molecular formula C22H16O5 and molecular weight 360.10 g/mol. IUPAC: (3-benzyl-4-methyl-2-oxochromen-7-yl) furan-2-carboxylate.
Chemical Property Profile of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate
Property Insights of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate
The XLogP value of 4.50442 indicates that 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate. Following Lipinski's Rule of Five, 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-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 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate?
The CAS number of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate is 446279-72-7.
What is the molecular formula of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate?
The molecular formula of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate is C22H16O5.
What is the molecular weight of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate?
The molecular weight of 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate is 360.10 g/mol.
Where can I buy 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate?
You can request a quote for 3-benzyl-4-methyl-2-oxo-2H-chromen-7-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 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.