2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate
TL;DR: 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate (CAS 66316-76-5) is a chemical compound with molecular formula C13H12O5S and molecular weight 280.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4-oxopyran-3-yl) 4-methylbenzenesulfonate
Also Known As: maltol tosylate, 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate, 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzenesulfonate, (2-methyl-4-oxopyran-3-yl) 4-methylbenzenesulfonate, AB01327481-02
| Molecular Formula | C13H12O5S |
|---|---|
| Molecular Weight | 280.04 g/mol |
| LogP | 2.02434 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.04056 |
| Heavy Atoms | 19 |
| Complexity | 741.3482 |
Chemical Identifiers
| CAS Number | 66316-76-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC=CC2=O)C |
Product Overview
2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate (CAS 66316-76-5), with molecular formula C13H12O5S and molecular weight 280.04 g/mol. IUPAC: (2-methyl-4-oxopyran-3-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate
Property Insights of 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate
The XLogP value of 2.02434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate 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 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate?
The CAS number of 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate is 66316-76-5.
What is the molecular formula of 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate?
The molecular formula of 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate is C13H12O5S.
What is the molecular weight of 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate?
The molecular weight of 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate is 280.04 g/mol.
Where can I buy 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate?
You can request a quote for 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-4-oxo-4H-pyran-3-yl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.