Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate
TL;DR: Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate (CAS 295345-83-4) is a chemical compound with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate
Also Known As: ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate, ethylnitrobenzoxazolylacetate, Ethyl 2-(6-nitrobenzo[d]oxazol-2-yl)acetate, ethyl (6-nitro-1,3-benzoxazol-2-yl)acetate, ethyl 2-(6-nitrobenzoxazol-2-yl)acetate
| Molecular Formula | C11H10N2O5 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.05898 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 295345-83-4 |
|---|---|
| SMILES | CCOC(=O)CC1=NC2=C(O1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | JHSUODTXBJJUGP-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate (CAS 295345-83-4), with molecular formula C11H10N2O5 and molecular weight 250.06 g/mol. IUPAC: ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate.
Chemical Property Profile of Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate
Property Insights of Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(6-nitro-1,3-benzoxazol-2-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 Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate?
The CAS number of Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate is 295345-83-4.
What is the molecular formula of Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate?
The molecular formula of Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate is C11H10N2O5.
What is the molecular weight of Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate?
The molecular weight of Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate is 250.06 g/mol.
Where can I buy Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate?
You can request a quote for Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(6-nitro-1,3-benzoxazol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.