Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate
TL;DR: Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate (CAS 70672-80-9) is a chemical compound with molecular formula C9H6BrNO4 and molecular weight 270.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate
Also Known As: methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate, Methyl 5-bromo-3-oxo-1,2-benzoxazole-2(3H)-carboxylate
| Molecular Formula | C9H6BrNO4 |
|---|---|
| Molecular Weight | 270.95 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.94803 |
| Heavy Atoms | 15 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 70672-80-9 |
|---|---|
| SMILES | COC(=O)N1C(=O)C2=C(O1)C=CC(=C2)Br |
| InChIKey | XQXLOINGDRPGMD-UHFFFAOYSA-N |
Product Overview
Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate (CAS 70672-80-9), with molecular formula C9H6BrNO4 and molecular weight 270.95 g/mol. IUPAC: methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate.
Chemical Property Profile of Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate
Property Insights of Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromo-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 Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate?
The CAS number of Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate is 70672-80-9.
What is the molecular formula of Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate?
The molecular formula of Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate is C9H6BrNO4.
What is the molecular weight of Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate?
The molecular weight of Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate is 270.95 g/mol.
Where can I buy Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate?
You can request a quote for Methyl 5-bromo-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 Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.