Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate
TL;DR: Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate (CAS 254980-76-2) is a chemical compound with molecular formula C33H37N5O8 and molecular weight 631.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate
Also Known As: hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate, hexadecyl 9-(dicyanomethylene)-2,5,7-trinitrofluorene-4-carboxylate, hexadecyl 9-(dicyanomethylene)-2,5,7-trinitro-9H-4-fluorenecarboxylate, Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitro-fluorene-4-carboxylate
| Molecular Formula | C33H37N5O8 |
|---|---|
| Molecular Weight | 631.26 g/mol |
| LogP | 8.87876 |
| Topological Polar Surface Area | 203.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 631.2642 |
| Heavy Atoms | 46 |
| Complexity | 1586.3624 |
Chemical Identifiers
| CAS Number | 254980-76-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC2=C1C3=C(C2=C(C#N)C#N)C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate (CAS 254980-76-2), with molecular formula C33H37N5O8 and molecular weight 631.26 g/mol. IUPAC: hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate.
Chemical Property Profile of Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate
Property Insights of Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate
The XLogP value of 8.87876 indicates that Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 203.3 Ų indicates high polarity, suggesting Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate?
The CAS number of Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate is 254980-76-2.
What is the molecular formula of Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate?
The molecular formula of Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate is C33H37N5O8.
What is the molecular weight of Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate?
The molecular weight of Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate is 631.26 g/mol.
Where can I buy Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate?
You can request a quote for Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Hexadecyl 9-(dicyanomethylidene)-2,5,7-trinitrofluorene-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.