ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
TL;DR: ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate (CAS 313503-28-5) is a chemical compound with molecular formula C10H8N2O6 and molecular weight 252.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate
Also Known As: ethyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate, ethyl 6-nitro-2-oxobenzo[d]oxazole-3(2H)-carboxylate, ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
| Molecular Formula | C10H8N2O6 |
|---|---|
| Molecular Weight | 252.04 g/mol |
| LogP | 1.5073 |
| Topological Polar Surface Area | 104.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.03824 |
| Heavy Atoms | 18 |
| Complexity | 683.223 |
Chemical Identifiers
| CAS Number | 313503-28-5 |
|---|---|
| SMILES | CCOC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O |
Product Overview
ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate (CAS 313503-28-5), with molecular formula C10H8N2O6 and molecular weight 252.04 g/mol. IUPAC: ethyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate.
Chemical Property Profile of ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
Property Insights of ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
The XLogP value of 1.5073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate. The TPSA of 104.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate. Following Lipinski's Rule of Five, ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate 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 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
The CAS number of ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate is 313503-28-5.
What is the molecular formula of ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
The molecular formula of ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate is C10H8N2O6.
What is the molecular weight of ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
The molecular weight of ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate is 252.04 g/mol.
Where can I buy ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
You can request a quote for ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.