Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate
TL;DR: Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate (CAS 109844-94-2) is a chemical compound with molecular formula C11H11NO5 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate
Also Known As: ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate, J2.467.007D, 3-(4-Nitrophenyl)oxirane-2-carboxylic acid ethyl ester
| Molecular Formula | C11H11NO5 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.06372 |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 109844-94-2 |
|---|---|
| SMILES | CCOC(=O)C1C(O1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | FSOMTKWIEYZQMG-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate (CAS 109844-94-2), with molecular formula C11H11NO5 and molecular weight 237.06 g/mol. IUPAC: ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate.
Chemical Property Profile of Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate
Property Insights of Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate has 0 hydrogen bond donor(s) and 5 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 3-(4-nitrophenyl)oxirane-2-carboxylate?
The CAS number of Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate is 109844-94-2.
What is the molecular formula of Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate?
The molecular formula of Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate is C11H11NO5.
What is the molecular weight of Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate?
The molecular weight of Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate is 237.06 g/mol.
Where can I buy Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate?
You can request a quote for Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-nitrophenyl)oxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.