3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid
TL;DR: 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid (CAS 1037408-98-2) is a chemical compound with molecular formula C8H9BrN2O4 and molecular weight 275.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-(3-bromo-1,2-oxazol-5-yl)propanoic acid
Also Known As: 3-(3-bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid, 2-acetamido-3-(3-bromo-1,2-oxazol-5-yl)propanoic Acid
| Molecular Formula | C8H9BrN2O4 |
|---|---|
| Molecular Weight | 275.97 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.97458 |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 1037408-98-2 |
|---|---|
| SMILES | CC(=O)NC(CC1=CC(=NO1)Br)C(=O)O |
| InChIKey | OTDLHVIZCJAUQL-UHFFFAOYSA-N |
Product Overview
3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid (CAS 1037408-98-2), with molecular formula C8H9BrN2O4 and molecular weight 275.97 g/mol. IUPAC: 2-acetamido-3-(3-bromo-1,2-oxazol-5-yl)propanoic acid.
Chemical Property Profile of 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid
Property Insights of 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid. Following Lipinski's Rule of Five, 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid has 2 hydrogen bond donor(s) and 5 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 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid?
The CAS number of 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid is 1037408-98-2.
What is the molecular formula of 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid?
The molecular formula of 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid is C8H9BrN2O4.
What is the molecular weight of 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid?
The molecular weight of 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid is 275.97 g/mol.
Where can I buy 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid?
You can request a quote for 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromo-1,2-oxazol-5-yl)-2-acetamidopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.