Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate
TL;DR: Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate (CAS 62901-53-5) is a chemical compound with molecular formula C20H17N3O9 and molecular weight 443.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate
Also Known As: hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate, 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, hexyl ester, hexyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate, Hexyl 2,5,7-trinitro-9-oxo-fluorene-4-carboxylate, RefChem:347759
| Molecular Formula | C20H17N3O9 |
|---|---|
| Molecular Weight | 443.10 g/mol |
| LogP | 4.3597 |
| Topological Polar Surface Area | 172.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.09647 |
| Heavy Atoms | 32 |
| Complexity | 1173.3909 |
Chemical Identifiers
| CAS Number | 62901-53-5 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate (CAS 62901-53-5), with molecular formula C20H17N3O9 and molecular weight 443.10 g/mol. IUPAC: hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate.
Chemical Property Profile of Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate
Property Insights of Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate
The XLogP value of 4.3597 indicates that Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.79 Ų indicates high polarity, suggesting Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate has 0 hydrogen bond donor(s) and 9 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 Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate?
The CAS number of Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate is 62901-53-5.
What is the molecular formula of Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate?
The molecular formula of Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate is C20H17N3O9.
What is the molecular weight of Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate?
The molecular weight of Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate is 443.10 g/mol.
Where can I buy Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate?
You can request a quote for Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.