2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester
TL;DR: 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester (CAS 93519-67-6) is a chemical compound with molecular formula C18H14N2O7 and molecular weight 370.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,7-dinitro-9-oxofluorene-4-carboxylate
Also Known As: butyl 2,7-dinitro-9-oxo-9H-fluorene-4-carboxylate, butyl 2,7-dinitro-9-oxofluorene-4-carboxylate, 2,7-dinitro-9-oxo-9h-fluorene-4-carboxylic acid butyl ester, 684-918-2, RefChem:445995
| Molecular Formula | C18H14N2O7 |
|---|---|
| Molecular Weight | 370.08 g/mol |
| LogP | 3.6713 |
| Topological Polar Surface Area | 129.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.0801 |
| Heavy Atoms | 27 |
| Complexity | 997.44495 |
Chemical Identifiers
| CAS Number | 93519-67-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester (CAS 93519-67-6), with molecular formula C18H14N2O7 and molecular weight 370.08 g/mol. IUPAC: butyl 2,7-dinitro-9-oxofluorene-4-carboxylate.
Chemical Property Profile of 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester
Property Insights of 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester
The XLogP value of 3.6713 indicates that 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester. Following Lipinski's Rule of Five, 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester 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 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester?
The CAS number of 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester is 93519-67-6.
What is the molecular formula of 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester?
The molecular formula of 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester is C18H14N2O7.
What is the molecular weight of 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester?
The molecular weight of 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester is 370.08 g/mol.
Where can I buy 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester?
You can request a quote for 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Dinitro-9-oxo-9H-fluorene-4-carboxylic acid butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.