Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate
TL;DR: Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate (CAS 74182-45-9) is a chemical compound with molecular formula C10H8BrNO4 and molecular weight 284.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-2-oxo-1,3-benzoxazole-3-carboxylate
Also Known As: 6-Bromo-3-etoksykarbonylobenzoksazolinon-2, 3(2H)-BENZOXAZOLECARBOXYLIC ACID, 6-BROMO-2-OXO-, ETHYL ESTER, 6-Bromo-3-etoksykarbonylobenzoksazolinon-2 [Polish], ethyl 6-bromo-2-oxo-1,3-benzoxazole-3-carboxylate, 6-Bromo-2-oxo-3(2H)-benzoxazolecarboxylic acid ethyl ester
| Molecular Formula | C10H8BrNO4 |
|---|---|
| Molecular Weight | 284.96 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.96368 |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 74182-45-9 |
|---|---|
| SMILES | CCOC(=O)N1C2=C(C=C(C=C2)Br)OC1=O |
| InChIKey | IIQXDOBAOJWNQM-UHFFFAOYSA-N |
Product Overview
Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate (CAS 74182-45-9), with molecular formula C10H8BrNO4 and molecular weight 284.96 g/mol. IUPAC: ethyl 6-bromo-2-oxo-1,3-benzoxazole-3-carboxylate.
Chemical Property Profile of Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate
Property Insights of Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate 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 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate?
The CAS number of Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate is 74182-45-9.
What is the molecular formula of Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate?
The molecular formula of Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate is C10H8BrNO4.
What is the molecular weight of Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate?
The molecular weight of Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate is 284.96 g/mol.
Where can I buy Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate?
You can request a quote for Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-bromo-2-oxo-3(2H)-benzoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.