pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate
TL;DR: pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate (CAS 114591-51-4) is a chemical compound with molecular formula C22H16N4O6 and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 9-(dicyanomethylidene)-2,7-dinitrofluorene-4-carboxylate
Also Known As: pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate, pentyl 9-(dicyanomethylidene)-2,7-dinitro-9H-fluorene-4-carboxylate, Pentyl 9-(dicyanomethylidene)-2,7-dinitro-fluorene-4-carboxylate, pentyl 9-(dicyanomethylidene)-2,7-dinitrofluorene-4-carboxylate
| Molecular Formula | C22H16N4O6 |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 4.67946 |
| Topological Polar Surface Area | 160.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.107 |
| Heavy Atoms | 32 |
| Complexity | 1250.4028 |
Chemical Identifiers
| CAS Number | 114591-51-4 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC(=CC2=C1C3=C(C2=C(C#N)C#N)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate (CAS 114591-51-4), with molecular formula C22H16N4O6 and molecular weight 432.11 g/mol. IUPAC: pentyl 9-(dicyanomethylidene)-2,7-dinitrofluorene-4-carboxylate.
Chemical Property Profile of pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate
Property Insights of pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate
The XLogP value of 4.67946 indicates that pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.16 Ų indicates high polarity, suggesting pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate has 0 hydrogen bond donor(s) and 8 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 pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate?
The CAS number of pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate is 114591-51-4.
What is the molecular formula of pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate?
The molecular formula of pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate is C22H16N4O6.
What is the molecular weight of pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate?
The molecular weight of pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate is 432.11 g/mol.
Where can I buy pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate?
You can request a quote for pentyl 9-(dicyanomethylene)-2,7-dinitro-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 pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for pentyl 9-(dicyanomethylene)-2,7-dinitro-9H-fluorene-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.