4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate
TL;DR: 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate (CAS 69830-32-6) is a chemical compound with molecular formula C17H14O5S and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-6-yl) 4-methylbenzenesulfonate
Also Known As: 4-Methylcoumarine-6-tosyloxy, 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate, (4-methyl-2-oxochromen-6-yl) 4-methylbenzenesulfonate, 4-Methyl-2-oxo-2H-chromen-6-yl 4-methylbenzenesulfonate #, Benzenesulfonic acid, 4-methyl-, 4-methylcoumarin-6-yl ester
| Molecular Formula | C17H14O5S |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.05618 |
| Heavy Atoms | 23 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 69830-32-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)OC(=O)C=C3C |
| InChIKey | BEZWEUWGSYJUIZ-UHFFFAOYSA-N |
Product Overview
4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate (CAS 69830-32-6), with molecular formula C17H14O5S and molecular weight 330.06 g/mol. IUPAC: (4-methyl-2-oxochromen-6-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate
Property Insights of 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate
The XLogP value of 3.3 indicates that 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, 4-methyl-2-oxo-2H-chromen-6-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 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate?
The CAS number of 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate is 69830-32-6.
What is the molecular formula of 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate?
The molecular formula of 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate is C17H14O5S.
What is the molecular weight of 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate?
The molecular weight of 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate is 330.06 g/mol.
Where can I buy 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate?
You can request a quote for 4-methyl-2-oxo-2H-chromen-6-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 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-2-oxo-2H-chromen-6-yl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.