9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester
TL;DR: 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester (CAS 109174-05-2) is a chemical compound with molecular formula C17H11N3O9 and molecular weight 401.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2,5,7-trinitro-9-oxofluorene-4-carboxylate
Also Known As: 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester, isopropyl 2,5,7-trinitro-9-oxofluorene-4-carboxylate, propan-2-yl 2,5,7-trinitro-9-oxofluorene-4-carboxylate, Propan-2-yl 2,5,7-trinitro-9-oxo-fluorene-4-carboxylate, PROPAN-2-YL 2,5,7-TRINITRO-9-OXO-9H-FLUORENE-4-CARBOXYLATE
| Molecular Formula | C17H11N3O9 |
|---|---|
| Molecular Weight | 401.05 g/mol |
| LogP | 3.1878 |
| Topological Polar Surface Area | 172.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.04953 |
| Heavy Atoms | 29 |
| Complexity | 1137.454 |
Chemical Identifiers
| CAS Number | 109174-05-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester (CAS 109174-05-2), with molecular formula C17H11N3O9 and molecular weight 401.05 g/mol. IUPAC: propan-2-yl 2,5,7-trinitro-9-oxofluorene-4-carboxylate.
Chemical Property Profile of 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester
Property Insights of 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester
The XLogP value of 3.1878 indicates that 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.79 Ų indicates high polarity, suggesting 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester 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 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester?
The CAS number of 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester is 109174-05-2.
What is the molecular formula of 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester?
The molecular formula of 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester is C17H11N3O9.
What is the molecular weight of 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester?
The molecular weight of 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester is 401.05 g/mol.
Where can I buy 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester?
You can request a quote for 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 9H-Fluorene-4-carboxylic acid, 2,5,7-trinitro-9-oxo-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.