Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate
TL;DR: Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate (CAS 308295-41-2) is a chemical compound with molecular formula C14H13BrO5 and molecular weight 339.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-bromo-2-methyl-5-propanoyloxy-1-benzofuran-3-carboxylate
Also Known As: BIM-0002758.P001, methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate, F0821-0323, methyl 6-bromo-2-methyl-5-(propionyloxy)-1-benzofuran-3-carboxylate, methyl 6-bromo-2-methyl-5-propanoyloxy-1-benzofuran-3-carboxylate
| Molecular Formula | C14H13BrO5 |
|---|---|
| Molecular Weight | 339.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.99463 |
| Heavy Atoms | 20 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 308295-41-2 |
|---|---|
| SMILES | CCC(=O)OC1=C(C=C2C(=C1)C(=C(O2)C)C(=O)OC)Br |
| InChIKey | CMHMPCHOKDRHKB-UHFFFAOYSA-N |
Product Overview
Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate (CAS 308295-41-2), with molecular formula C14H13BrO5 and molecular weight 339.99 g/mol. IUPAC: methyl 6-bromo-2-methyl-5-propanoyloxy-1-benzofuran-3-carboxylate.
Chemical Property Profile of Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate
Property Insights of Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate
The XLogP value of 3.5 indicates that Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate 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 Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate?
The CAS number of Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate is 308295-41-2.
What is the molecular formula of Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate?
The molecular formula of Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate is C14H13BrO5.
What is the molecular weight of Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate?
The molecular weight of Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate is 339.99 g/mol.
Where can I buy Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate?
You can request a quote for Methyl 6-bromo-2-methyl-5-(propanoyloxy)-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-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-bromo-2-methyl-5-(propanoyloxy)-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.