Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate
TL;DR: Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate (CAS 24603-48-3) is a chemical compound with molecular formula C10H7Br2NO4 and molecular weight 362.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate
Also Known As: ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate, Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2(3H)-carboxylate, 5,7-dibromo-3-oxo-3H-benzo[d]isoxazole-2-carboxylic acid ethyl ester
| Molecular Formula | C10H7Br2NO4 |
|---|---|
| Molecular Weight | 362.87 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.87418 |
| Heavy Atoms | 17 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 24603-48-3 |
|---|---|
| SMILES | CCOC(=O)N1C(=O)C2=C(O1)C(=CC(=C2)Br)Br |
| InChIKey | BRXGKWILCCUYNB-UHFFFAOYSA-N |
Product Overview
Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate (CAS 24603-48-3), with molecular formula C10H7Br2NO4 and molecular weight 362.87 g/mol. IUPAC: ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate.
Chemical Property Profile of Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate
Property Insights of Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate
The XLogP value of 3.3 indicates that Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate 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 Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate?
The CAS number of Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate is 24603-48-3.
What is the molecular formula of Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate?
The molecular formula of Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate is C10H7Br2NO4.
What is the molecular weight of Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate?
The molecular weight of Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate is 362.87 g/mol.
Where can I buy Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate?
You can request a quote for Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.