3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
TL;DR: 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid (CAS 13610-61-2) 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.
3-(6-bromo-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
Also Known As: 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid, 3-(6-bromo-2-oxo-1,3-benzoxazol-3-yl)propanoic acid, 3(2H)-Benzoxazolepropanoic acid, 6-bromo-2-oxo-, 3-<6-Brom-benzoxazolonyl-(3)>-propionsaeure, 3-(6-Bromo-2-oxobenzo[d]oxazol-3(2H)-yl)propanoic acid
| Molecular Formula | C10H8BrNO4 |
|---|---|
| Molecular Weight | 284.96 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.96368 |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 13610-61-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)OC(=O)N2CCC(=O)O |
| InChIKey | IAFZBVTUIXNIPJ-UHFFFAOYSA-N |
Product Overview
3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid (CAS 13610-61-2), with molecular formula C10H8BrNO4 and molecular weight 284.96 g/mol. IUPAC: 3-(6-bromo-2-oxo-1,3-benzoxazol-3-yl)propanoic acid.
Chemical Property Profile of 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
Property Insights of 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid has 1 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 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid?
The CAS number of 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid is 13610-61-2.
What is the molecular formula of 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid?
The molecular formula of 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid is C10H8BrNO4.
What is the molecular weight of 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid?
The molecular weight of 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid is 284.96 g/mol.
Where can I buy 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid?
You can request a quote for 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.