![4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one structure](/static/products/6211/62113-97-7.webp)
4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one
TL;DR: 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one (CAS 62113-97-7) is a chemical compound with molecular formula C12H12O8S2 and molecular weight 348.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-8-methylsulfonyloxy-2-oxochromen-7-yl) methanesulfonate
Also Known As: NCIStruc1_001768, NCIStruc2_001475, NCI60_001999, 4-Methyl-7,8-bis(methylsulfonyloxy)chromen-2-one, (4-methyl-8-methylsulfonyloxy-2-oxochromen-7-yl) methanesulfonate
| Molecular Formula | C12H12O8S2 |
|---|---|
| Molecular Weight | 348.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.99734 |
| Heavy Atoms | 22 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 62113-97-7 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2OS(=O)(=O)C)OS(=O)(=O)C |
| InChIKey | LNUOVDYXSVMVOE-UHFFFAOYSA-N |
Product Overview
4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one (CAS 62113-97-7), with molecular formula C12H12O8S2 and molecular weight 348.00 g/mol. IUPAC: (4-methyl-8-methylsulfonyloxy-2-oxochromen-7-yl) methanesulfonate.
Chemical Property Profile of 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one
Property Insights of 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one. Following Lipinski's Rule of Five, 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one has 0 hydrogen bond donor(s) and 8 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-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one?
The CAS number of 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one is 62113-97-7.
What is the molecular formula of 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one?
The molecular formula of 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one is C12H12O8S2.
What is the molecular weight of 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one?
The molecular weight of 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one is 348.00 g/mol.
Where can I buy 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one?
You can request a quote for 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.