Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate
TL;DR: Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate (CAS 866151-12-4) is a chemical compound with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate
Also Known As: ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate, ethyl 1-(2,4-dinitrophenyl)-3-azetanecarboxylate, ethyl1-(2,4-dinitrophenyl)azetidine-3-carboxylate
| Molecular Formula | C12H13N3O6 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 1.5023 |
| Topological Polar Surface Area | 115.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.08044 |
| Heavy Atoms | 21 |
| Complexity | 596.6556 |
Chemical Identifiers
| CAS Number | 866151-12-4 |
|---|---|
| SMILES | CCOC(=O)C1CN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate (CAS 866151-12-4), with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol. IUPAC: ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate
Property Insights of Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate
The XLogP value of 1.5023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate. The TPSA of 115.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate has 0 hydrogen bond donor(s) and 7 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 1-(2,4-dinitrophenyl)azetidine-3-carboxylate?
The CAS number of Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate is 866151-12-4.
What is the molecular formula of Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate?
The molecular formula of Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate is C12H13N3O6.
What is the molecular weight of Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate?
The molecular weight of Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate is 295.08 g/mol.
Where can I buy Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate?
You can request a quote for Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2,4-dinitrophenyl)azetidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.