![2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate structure](/static/products/442/442654-89-9.png)
2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate
TL;DR: 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate (CAS 442654-89-9) is a chemical compound with molecular formula C20H17BrO5 and molecular weight 416.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-(2-bromobenzoyl)oxy-2-methyl-1-benzofuran-3-carboxylate
Also Known As: isopropyl 5-((2-bromobenzoyl)oxy)-2-methylbenzofuran-3-carboxylate, 2-methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate, propan-2-yl 5-(2-bromobenzoyl)oxy-2-methyl-1-benzofuran-3-carboxylate, Propan-2-yl 5-(2-bromobenzoyl)oxy-2-methyl-benzofuran-3-carboxylate, PROPAN-2-YL 5-(2-BROMOBENZOYLOXY)-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE
| Molecular Formula | C20H17BrO5 |
|---|---|
| Molecular Weight | 416.03 g/mol |
| LogP | 5.28812 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.02594 |
| Heavy Atoms | 26 |
| Complexity | 987.0303 |
Chemical Identifiers
| CAS Number | 442654-89-9 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C3=CC=CC=C3Br)C(=O)OC(C)C |
Product Overview
2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate (CAS 442654-89-9), with molecular formula C20H17BrO5 and molecular weight 416.03 g/mol. IUPAC: propan-2-yl 5-(2-bromobenzoyl)oxy-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate
Property Insights of 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate
The XLogP value of 5.28812 indicates that 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate. Following Lipinski's Rule of Five, 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate?
The CAS number of 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate is 442654-89-9.
What is the molecular formula of 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate?
The molecular formula of 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate is C20H17BrO5.
What is the molecular weight of 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate?
The molecular weight of 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate is 416.03 g/mol.
Where can I buy 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate?
You can request a quote for 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-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 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.