Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate
TL;DR: Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate (CAS 315237-06-0) is a chemical compound with molecular formula C12H11BrO6S and molecular weight 361.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-bromo-2-methyl-5-methylsulfonyloxy-1-benzofuran-3-carboxylate
Also Known As: BAS 02375872, BIM-0002526.P001, methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate, UPCMLD0ENAT0504-4913:001, methyl 6-bromo-2-methyl-5-((methylsulfonyl)oxy)benzofuran-3-carboxylate
| Molecular Formula | C12H11BrO6S |
|---|---|
| Molecular Weight | 361.95 g/mol |
| LogP | 2.62872 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.94598 |
| Heavy Atoms | 20 |
| Complexity | 789.8707 |
Chemical Identifiers
| CAS Number | 315237-06-0 |
|---|---|
| SMILES | CC1=C(C2=CC(=C(C=C2O1)Br)OS(=O)(=O)C)C(=O)OC |
Product Overview
Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate (CAS 315237-06-0), with molecular formula C12H11BrO6S and molecular weight 361.95 g/mol. IUPAC: methyl 6-bromo-2-methyl-5-methylsulfonyloxy-1-benzofuran-3-carboxylate.
Chemical Property Profile of Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate
Property Insights of Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate
The XLogP value of 2.62872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-bromo-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 Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Methyl 6-bromo-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 Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate?
The CAS number of Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate is 315237-06-0.
What is the molecular formula of Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate?
The molecular formula of Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate is C12H11BrO6S.
What is the molecular weight of Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate?
The molecular weight of Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate is 361.95 g/mol.
Where can I buy Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate?
You can request a quote for Methyl 6-bromo-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 Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-bromo-5-(methanesulfonyloxy)-2-methyl-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.