Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate
TL;DR: Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate (CAS 488120-29-2) is a chemical compound with molecular formula C12H10BrNO4 and molecular weight 310.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate
Also Known As: ChemDiv2_002467, 3-acetamido-5-bromo-coumarilic acid methyl ester, methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate, methyl 3-acetamido-5-bromobenzofuran-2-carboxylate, methyl 3-acetamido-5-bromanyl-1-benzofuran-2-carboxylate
| Molecular Formula | C12H10BrNO4 |
|---|---|
| Molecular Weight | 310.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.9793 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 488120-29-2 |
|---|---|
| SMILES | CC(=O)NC1=C(OC2=C1C=C(C=C2)Br)C(=O)OC |
| InChIKey | UKWAGVPNFORRSZ-UHFFFAOYSA-N |
Product Overview
Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate (CAS 488120-29-2), with molecular formula C12H10BrNO4 and molecular weight 310.98 g/mol. IUPAC: methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate.
Chemical Property Profile of Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate
Property Insights of Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate has 1 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 Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate?
The CAS number of Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate is 488120-29-2.
What is the molecular formula of Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate?
The molecular formula of Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate is C12H10BrNO4.
What is the molecular weight of Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate?
The molecular weight of Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate is 310.98 g/mol.
Where can I buy Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate?
You can request a quote for Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-acetamido-5-bromo-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.