2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate
TL;DR: 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate (CAS 115847-63-7) is a chemical compound with molecular formula C18H13N3O10 and molecular weight 431.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyethyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate
Also Known As: 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate, 2-ethoxyethyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate, 2-ethoxyethyl 2,5,7-trinitro-9-oxo-fluorene-4-carboxylate
| Molecular Formula | C18H13N3O10 |
|---|---|
| Molecular Weight | 431.06 g/mol |
| LogP | 2.8159 |
| Topological Polar Surface Area | 182.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.0601 |
| Heavy Atoms | 31 |
| Complexity | 1157.76 |
Chemical Identifiers
| CAS Number | 115847-63-7 |
|---|---|
| SMILES | CCOCCOC(=O)C1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate (CAS 115847-63-7), with molecular formula C18H13N3O10 and molecular weight 431.06 g/mol. IUPAC: 2-ethoxyethyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate.
Chemical Property Profile of 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate
Property Insights of 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate
The XLogP value of 2.8159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate. The TPSA of 182.02 Ų indicates high polarity, suggesting 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate has 0 hydrogen bond donor(s) and 10 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 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate?
The CAS number of 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate is 115847-63-7.
What is the molecular formula of 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate?
The molecular formula of 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate is C18H13N3O10.
What is the molecular weight of 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate?
The molecular weight of 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate is 431.06 g/mol.
Where can I buy 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate?
You can request a quote for 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-ethoxyethyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.