4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate
TL;DR: 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate (CAS 499141-59-2) is a chemical compound with molecular formula C16H11FO5S and molecular weight 334.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-7-yl) 4-fluorobenzenesulfonate
Also Known As: 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate, (4-methyl-2-oxochromen-7-yl) 4-fluorobenzenesulfonate, AB01325410-02, AO-548/41044796
| Molecular Formula | C16H11FO5S |
|---|---|
| Molecular Weight | 334.03 g/mol |
| LogP | 3.00822 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.03113 |
| Heavy Atoms | 23 |
| Complexity | 1036.2488 |
Chemical Identifiers
| CAS Number | 499141-59-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)F |
Product Overview
4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate (CAS 499141-59-2), with molecular formula C16H11FO5S and molecular weight 334.03 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) 4-fluorobenzenesulfonate.
Chemical Property Profile of 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate
Property Insights of 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate
The XLogP value of 3.00822 indicates that 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate 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 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate. Following Lipinski's Rule of Five, 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate 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-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate?
The CAS number of 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate is 499141-59-2.
What is the molecular formula of 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate?
The molecular formula of 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate is C16H11FO5S.
What is the molecular weight of 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate?
The molecular weight of 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate is 334.03 g/mol.
Where can I buy 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate?
You can request a quote for 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-2-oxo-2H-chromen-7-yl 4-fluorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.