1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester
TL;DR: 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester (CAS 70964-70-4) 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 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate
Also Known As: 5-Bromo-2-etoksykarbonylobenzoizoksazolinon-3, 5-Bromo-2-etoksykarbonylobenzoizoksazolinon-3 [Polish], ethyl 5-bromo-3-oxo-1,2-benzoxazole-2(3h)-carboxylate, 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester, Ethyl 5-bromo-3-oxo-1,2-benisoxazole-2(3H)-carboxylate
| 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 | 70964-70-4 |
|---|---|
| SMILES | CCOC(=O)N1C(=O)C2=C(O1)C=CC(=C2)Br |
| InChIKey | OJOVEIOWGUJHRY-UHFFFAOYSA-N |
Product Overview
1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester (CAS 70964-70-4), with molecular formula C10H8BrNO4 and molecular weight 284.96 g/mol. IUPAC: ethyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate.
Chemical Property Profile of 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester
Property Insights of 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 55.8 Ų, 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester 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 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester?
The CAS number of 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester is 70964-70-4.
What is the molecular formula of 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester?
The molecular formula of 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester is C10H8BrNO4.
What is the molecular weight of 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester?
The molecular weight of 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester is 284.96 g/mol.
Where can I buy 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester?
You can request a quote for 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benisoxazole-2(3H)-carboxylic acid, 5-bromo-3-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.