2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate
TL;DR: 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate (CAS 19739-41-4) is a chemical compound with molecular formula C9H5N2O6- and molecular weight 237.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
Also Known As: 2-(6-nitro-2-oxo-benzooxazol-3-yl)acetate, 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate, (6-Nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetate, (6-nitro-2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid, (6-NITRO-2-OXO-1,3-BENZOXAZOL-3(2H)-YL)ACETICACID
| Molecular Formula | C9H5N2O6- |
|---|---|
| Molecular Weight | 237.01 g/mol |
| LogP | -0.7474 |
| Topological Polar Surface Area | 118.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.01476 |
| Heavy Atoms | 17 |
| Complexity | 667.6662 |
Chemical Identifiers
| CAS Number | 19739-41-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2CC(=O)[O-] |
Product Overview
2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate (CAS 19739-41-4), with molecular formula C9H5N2O6- and molecular weight 237.01 g/mol. IUPAC: 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate.
Chemical Property Profile of 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate
Property Insights of 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate
The XLogP value of -0.7474 indicates that 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate. Following Lipinski's Rule of Five, 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate has 0 hydrogen bond donor(s) and 6 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 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate?
The CAS number of 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate is 19739-41-4.
What is the molecular formula of 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate?
The molecular formula of 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate is C9H5N2O6-.
What is the molecular weight of 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate?
The molecular weight of 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate is 237.01 g/mol.
Where can I buy 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate?
You can request a quote for 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Nitro-2-oxo-benzooxazol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.