Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate
TL;DR: Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate (CAS 315237-46-8) is a chemical compound with molecular formula C13H14O6S and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-5-methylsulfonyloxy-1-benzofuran-3-carboxylate
Also Known As: ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate, BAS 02375298, VU0295865-2, ethyl 2-methyl-5-methylsulfonyloxy-1-benzofuran-3-carboxylate, ethyl 2-methyl-5-((methylsulfonyl)oxy)benzofuran-3-carboxylate
| Molecular Formula | C13H14O6S |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 2.25632 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.05112 |
| Heavy Atoms | 20 |
| Complexity | 756.5045 |
Chemical Identifiers
| CAS Number | 315237-46-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)OS(=O)(=O)C)C |
Product Overview
Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate (CAS 315237-46-8), with molecular formula C13H14O6S and molecular weight 298.05 g/mol. IUPAC: ethyl 2-methyl-5-methylsulfonyloxy-1-benzofuran-3-carboxylate.
Chemical Property Profile of Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate
Property Insights of Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate
The XLogP value of 2.25632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate. The TPSA of 82.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate?
The CAS number of Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate is 315237-46-8.
What is the molecular formula of Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate?
The molecular formula of Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate is C13H14O6S.
What is the molecular weight of Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate?
The molecular weight of Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate is 298.05 g/mol.
Where can I buy Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate?
You can request a quote for Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.