(2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate
TL;DR: (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate (CAS 26322-82-7) is a chemical compound with molecular formula C11H14O5S and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate
Also Known As: Ethofumesate-2-hydroxy, 2-Hydroxy ethofumesate, ethofumesate metabolite, ethofumesate-2-hydroxy (NC 8493), 2-Hydroxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate
| Molecular Formula | C11H14O5S |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.05618 |
| Heavy Atoms | 17 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 26322-82-7 |
|---|---|
| SMILES | CC1(C(OC2=C1C=C(C=C2)OS(=O)(=O)C)O)C |
| InChIKey | KNHJTPLSWOEZHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate (CAS 26322-82-7), with molecular formula C11H14O5S and molecular weight 258.06 g/mol. IUPAC: (2-hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate.
Chemical Property Profile of (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate
Property Insights of (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate. Following Lipinski's Rule of Five, (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate has 1 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-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate?
The CAS number of (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate is 26322-82-7.
What is the molecular formula of (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate?
The molecular formula of (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate is C11H14O5S.
What is the molecular weight of (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate?
The molecular weight of (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate is 258.06 g/mol.
Where can I buy (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate?
You can request a quote for (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-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-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2-Hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.