(E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine
TL;DR: (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine (CAS 153759-80-9) is a chemical compound with molecular formula C6H6ClN3O5 and molecular weight 235.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(E)-3-chloro-1,3-dinitroprop-2-enylidene]-1,3-oxazolidine
Also Known As: (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine, (2E)-2-[(E)-3-chloro-1,3-dinitroprop-2-enylidene]-1,3-oxazolidine
| Molecular Formula | C6H6ClN3O5 |
|---|---|
| Molecular Weight | 235.00 g/mol |
| LogP | 0.4089 |
| Topological Polar Surface Area | 107.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.9996 |
| Heavy Atoms | 15 |
| Complexity | 355.77887 |
Chemical Identifiers
| CAS Number | 153759-80-9 |
|---|---|
| SMILES | C1CO/C(=C(\C=C(/[N+](=O)[O-])\Cl)/[N+](=O)[O-])/N1 |
Product Overview
(E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine (CAS 153759-80-9), with molecular formula C6H6ClN3O5 and molecular weight 235.00 g/mol. IUPAC: (2E)-2-[(E)-3-chloro-1,3-dinitroprop-2-enylidene]-1,3-oxazolidine.
Chemical Property Profile of (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine
Property Insights of (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine
The XLogP value of 0.4089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine. The TPSA of 107.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine. Following Lipinski's Rule of Five, (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine has 1 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 (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine?
The CAS number of (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine is 153759-80-9.
What is the molecular formula of (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine?
The molecular formula of (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine is C6H6ClN3O5.
What is the molecular weight of (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine?
The molecular weight of (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine is 235.00 g/mol.
Where can I buy (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine?
You can request a quote for (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((E)-3-chloro-1,3-dinitroallylidene)oxazolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.