3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate
TL;DR: 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate (CAS 325822-46-6) is a chemical compound with molecular formula C18H13BrO4 and molecular weight 372.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyl-2-methyl-1-benzofuran-5-yl) 2-bromobenzoate
Also Known As: 3-acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate, (3-acetyl-2-methyl-1-benzofuran-5-yl) 2-bromobenzoate, 3-acetyl-2-methylbenzofuran-5-yl 2-bromobenzoate, AE-848/11420532
| Molecular Formula | C18H13BrO4 |
|---|---|
| Molecular Weight | 372.00 g/mol |
| LogP | 4.92552 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.99973 |
| Heavy Atoms | 23 |
| Complexity | 923.9163 |
Chemical Identifiers
| CAS Number | 325822-46-6 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C3=CC=CC=C3Br)C(=O)C |
Product Overview
3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate (CAS 325822-46-6), with molecular formula C18H13BrO4 and molecular weight 372.00 g/mol. IUPAC: (3-acetyl-2-methyl-1-benzofuran-5-yl) 2-bromobenzoate.
Chemical Property Profile of 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate
Property Insights of 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate
The XLogP value of 4.92552 indicates that 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate has 0 hydrogen bond donor(s) and 4 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 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate?
The CAS number of 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate is 325822-46-6.
What is the molecular formula of 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate?
The molecular formula of 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate is C18H13BrO4.
What is the molecular weight of 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate?
The molecular weight of 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate is 372.00 g/mol.
Where can I buy 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate?
You can request a quote for 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-2-methyl-1-benzofuran-5-yl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.