(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid
TL;DR: (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid (CAS 100219-71-4) 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.
2-(6-bromo-2-oxo-1,3-benzoxazol-3-yl)acetic acid
Also Known As: (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid, 3(2H)-Benzoxazoleacetic acid, 6-bromo-2-oxo-, 2-(6-bromo-2-oxo-1,3-benzoxazol-3-yl)acetic acid, 2-(6-bromo-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetic acid, 2-(6-Bromo-2-oxobenzo[d]oxazol-3(2H)-yl)acetic acid
| Molecular Formula | C9H6BrNO4 |
|---|---|
| Molecular Weight | 270.95 g/mol |
| LogP | 1.4416 |
| Topological Polar Surface Area | 72.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.94803 |
| Heavy Atoms | 15 |
| Complexity | 583.3001 |
Chemical Identifiers
| CAS Number | 100219-71-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)OC(=O)N2CC(=O)O |
Product Overview
(6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid (CAS 100219-71-4), with molecular formula C9H6BrNO4 and molecular weight 270.95 g/mol. IUPAC: 2-(6-bromo-2-oxo-1,3-benzoxazol-3-yl)acetic acid.
Chemical Property Profile of (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid
Property Insights of (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid
The XLogP value of 1.4416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid. The TPSA of 72.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid. Following Lipinski's Rule of Five, (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid has 1 hydrogen bond donor(s) and 3 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 (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid?
The CAS number of (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid is 100219-71-4.
What is the molecular formula of (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid?
The molecular formula of (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid is C9H6BrNO4.
What is the molecular weight of (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid?
The molecular weight of (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid is 270.95 g/mol.
Where can I buy (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid?
You can request a quote for (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (6-bromo-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.