(2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate
TL;DR: (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate (CAS 62113-86-4) is a chemical compound with molecular formula C13H16O8S2 and molecular weight 364.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate
Also Known As: (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate, (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) met, 2,2-DIMETHYL-5,7-BIS[(METHYLSULFONYL)OXY]-4H-1-BENZOPYRAN-4-ONE, 2,2-Dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-5,7-diyl dimethanesulfonate
| Molecular Formula | C13H16O8S2 |
|---|---|
| Molecular Weight | 364.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.02866 |
| Heavy Atoms | 23 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 62113-86-4 |
|---|---|
| SMILES | CC1(CC(=O)C2=C(O1)C=C(C=C2OS(=O)(=O)C)OS(=O)(=O)C)C |
| InChIKey | VMVXDVWWJLPXCH-UHFFFAOYSA-N |
Product Overview
(2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate (CAS 62113-86-4), with molecular formula C13H16O8S2 and molecular weight 364.03 g/mol. IUPAC: (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate.
Chemical Property Profile of (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate
Property Insights of (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate. Following Lipinski's Rule of Five, (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate 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 (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate?
The CAS number of (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate is 62113-86-4.
What is the molecular formula of (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate?
The molecular formula of (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate is C13H16O8S2.
What is the molecular weight of (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate?
The molecular weight of (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate is 364.03 g/mol.
Where can I buy (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate?
You can request a quote for (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2,2-dimethyl-5-methylsulfonyloxy-4-oxo-3H-chromen-7-yl) methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.