(4-Methyl-2-oxochromen-7-yl) ethanesulfonate
TL;DR: (4-Methyl-2-oxochromen-7-yl) ethanesulfonate (CAS 108988-25-6) is a chemical compound with molecular formula C12H12O5S and molecular weight 268.04056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methyl-2-oxochromen-7-yl) ethanesulfonate
Also Known As: (4-methyl-2-oxochromen-7-yl) ethanesulfonate, 4-methyl-2-oxo-2H-chromen-7-yl ethanesulfonate, AN-652/42092792
Technical Specifications
| Molecular Formula | C12H12O5S |
| Molecular Weight | 268.04056 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.04056 Da |
| Heavy Atoms | 18 |
| Complexity | 459.0 |
| SMILES | CCS(=O)(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C |
| InChIKey | QYUOIIQLABQILL-UHFFFAOYSA-N |
Chemical Property Profile of (4-Methyl-2-oxochromen-7-yl) ethanesulfonate
Property Insights of (4-Methyl-2-oxochromen-7-yl) ethanesulfonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methyl-2-oxochromen-7-yl) ethanesulfonate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-2-oxochromen-7-yl) ethanesulfonate. Following Lipinski's Rule of Five, (4-Methyl-2-oxochromen-7-yl) ethanesulfonate 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
What is the CAS number of (4-Methyl-2-oxochromen-7-yl) ethanesulfonate?
The CAS number of (4-Methyl-2-oxochromen-7-yl) ethanesulfonate is 108988-25-6.
What is the molecular formula of (4-Methyl-2-oxochromen-7-yl) ethanesulfonate?
The molecular formula of (4-Methyl-2-oxochromen-7-yl) ethanesulfonate is C12H12O5S.
What is the molecular weight of (4-Methyl-2-oxochromen-7-yl) ethanesulfonate?
The molecular weight of (4-Methyl-2-oxochromen-7-yl) ethanesulfonate is 268.04056 g/mol.
Where can I buy (4-Methyl-2-oxochromen-7-yl) ethanesulfonate?
You can request a quote for (4-Methyl-2-oxochromen-7-yl) ethanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Methyl-2-oxochromen-7-yl) ethanesulfonate?
Yes, CoreyChem provides custom synthesis services for (4-Methyl-2-oxochromen-7-yl) ethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.