9H-fluoren-9-yl 3,5-dinitrobenzoate
TL;DR: 9H-fluoren-9-yl 3,5-dinitrobenzoate (CAS 64666-55-3) is a chemical compound with molecular formula C20H12N2O6 and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9H-fluoren-9-yl 3,5-dinitrobenzoate
Also Known As: 9H-fluoren-9-yl 3,5-dinitrobenzoate
| Molecular Formula | C20H12N2O6 |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.06955 |
| Heavy Atoms | 28 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 64666-55-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ASNGMRZUBIVUCZ-UHFFFAOYSA-N |
Product Overview
9H-fluoren-9-yl 3,5-dinitrobenzoate (CAS 64666-55-3), with molecular formula C20H12N2O6 and molecular weight 376.07 g/mol. IUPAC: 9H-fluoren-9-yl 3,5-dinitrobenzoate.
Chemical Property Profile of 9H-fluoren-9-yl 3,5-dinitrobenzoate
Property Insights of 9H-fluoren-9-yl 3,5-dinitrobenzoate
The XLogP value of 4.3 indicates that 9H-fluoren-9-yl 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-fluoren-9-yl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, 9H-fluoren-9-yl 3,5-dinitrobenzoate has 0 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 9H-fluoren-9-yl 3,5-dinitrobenzoate?
The CAS number of 9H-fluoren-9-yl 3,5-dinitrobenzoate is 64666-55-3.
What is the molecular formula of 9H-fluoren-9-yl 3,5-dinitrobenzoate?
The molecular formula of 9H-fluoren-9-yl 3,5-dinitrobenzoate is C20H12N2O6.
What is the molecular weight of 9H-fluoren-9-yl 3,5-dinitrobenzoate?
The molecular weight of 9H-fluoren-9-yl 3,5-dinitrobenzoate is 376.07 g/mol.
Where can I buy 9H-fluoren-9-yl 3,5-dinitrobenzoate?
You can request a quote for 9H-fluoren-9-yl 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-fluoren-9-yl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 9H-fluoren-9-yl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.