(5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid
TL;DR: (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid (CAS 435345-26-9) is a chemical compound with molecular formula C9H6ClNO4 and molecular weight 227.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetic acid
Also Known As: (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid, Benzene,4-chloro-1-nitro-2-phenoxy, 2-(5-Chloro-2-oxobenzo[d]oxazol-3(2H)-yl)acetic acid, BAS 16330868, 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetic acid
| Molecular Formula | C9H6ClNO4 |
|---|---|
| Molecular Weight | 227.00 g/mol |
| LogP | 1.3325 |
| Topological Polar Surface Area | 72.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.99854 |
| Heavy Atoms | 15 |
| Complexity | 583.3001 |
Chemical Identifiers
| CAS Number | 435345-26-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)N(C(=O)O2)CC(=O)O |
Product Overview
(5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid (CAS 435345-26-9), with molecular formula C9H6ClNO4 and molecular weight 227.00 g/mol. IUPAC: 2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)acetic acid.
Chemical Property Profile of (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid
Property Insights of (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid
The XLogP value of 1.3325 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid. The TPSA of 72.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid. Following Lipinski's Rule of Five, (5-Chloro-2-oxo-benzooxazol-3-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 (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid?
The CAS number of (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid is 435345-26-9.
What is the molecular formula of (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid?
The molecular formula of (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid is C9H6ClNO4.
What is the molecular weight of (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid?
The molecular weight of (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid is 227.00 g/mol.
Where can I buy (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid?
You can request a quote for (5-Chloro-2-oxo-benzooxazol-3-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 (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Chloro-2-oxo-benzooxazol-3-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.