4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate
TL;DR: 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate (CAS 62113-91-1) is a chemical compound with molecular formula C11H10O5S and molecular weight 254.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-oxochromen-6-yl) methanesulfonate
Also Known As: (4-methyl-2-oxochromen-6-yl) methanesulfonate, 4-Methyl-6-methylsulfonyloxy-chromen-2-one, 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate, 4-METHYL-6-[(METHYLSULFONYL)OXY]-2H-1-BENZOPYRAN-2-ONE
| Molecular Formula | C11H10O5S |
|---|---|
| Molecular Weight | 254.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.02489 |
| Heavy Atoms | 17 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 62113-91-1 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=C(C=C2)OS(=O)(=O)C |
| InChIKey | LSZJXPJUJABHKM-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate (CAS 62113-91-1), with molecular formula C11H10O5S and molecular weight 254.02 g/mol. IUPAC: (4-methyl-2-oxochromen-6-yl) methanesulfonate.
Chemical Property Profile of 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate
Property Insights of 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate. Following Lipinski's Rule of Five, 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate 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-1-benzopyran-6-yl methanesulfonate?
The CAS number of 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate is 62113-91-1.
What is the molecular formula of 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate?
The molecular formula of 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate is C11H10O5S.
What is the molecular weight of 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate?
The molecular weight of 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate is 254.02 g/mol.
Where can I buy 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate?
You can request a quote for 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate 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-1-benzopyran-6-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-oxo-2H-1-benzopyran-6-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.