(9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid
TL;DR: (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid (CAS 324051-98-1) is a chemical compound with molecular formula C19H9N3O9 and molecular weight 423.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitrofluorene-4-carboxylic acid
Also Known As: BAS 00668863, 9-Furan-2-ylmethylene-2,5,7-trinitro-9H-fluorene-4-carboxylic acid, (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitrofluorene-4-carboxylic acid, (E)-9-(furan-2-ylmethylene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid, (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid
| Molecular Formula | C19H9N3O9 |
|---|---|
| Molecular Weight | 423.03 g/mol |
| LogP | 4.2717 |
| Topological Polar Surface Area | 179.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.03387 |
| Heavy Atoms | 31 |
| Complexity | 1256.6486 |
Chemical Identifiers
| CAS Number | 324051-98-1 |
|---|---|
| SMILES | C1=COC(=C1)/C=C/2\C3=C(C(=CC(=C3)[N+](=O)[O-])C(=O)O)C4=C2C=C(C=C4[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid (CAS 324051-98-1), with molecular formula C19H9N3O9 and molecular weight 423.03 g/mol. IUPAC: (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitrofluorene-4-carboxylic acid.
Chemical Property Profile of (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid
Property Insights of (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid
The XLogP value of 4.2717 indicates that (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.86 Ų indicates high polarity, suggesting (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid has 1 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 (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid?
The CAS number of (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid is 324051-98-1.
What is the molecular formula of (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid?
The molecular formula of (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid is C19H9N3O9.
What is the molecular weight of (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid?
The molecular weight of (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid is 423.03 g/mol.
Where can I buy (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid?
You can request a quote for (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.