methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate
TL;DR: methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate (CAS 324052-02-0) is a chemical compound with molecular formula C20H11N3O9 and molecular weight 437.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitrofluorene-4-carboxylate
Also Known As: BAS 00668867, methyl 9-(2-furylmethylene)-2,5,7-trisnitro-9H-fluorene-4-carboxylate, (E)-methyl 9-(furan-2-ylmethylene)-2,5,7-trinitro-9H-fluorene-4-carboxylate, 9-Furan-2-ylmethylene-2,5,7-trinitro-9H-fluorene-4-carboxylic acid methyl ester, methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate
| Molecular Formula | C20H11N3O9 |
|---|---|
| Molecular Weight | 437.05 g/mol |
| LogP | 4.3601 |
| Topological Polar Surface Area | 168.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.04953 |
| Heavy Atoms | 32 |
| Complexity | 1357.1302 |
Chemical Identifiers
| CAS Number | 324052-02-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC\2=C1C3=C(/C2=C/C4=CC=CO4)C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate (CAS 324052-02-0), with molecular formula C20H11N3O9 and molecular weight 437.05 g/mol. IUPAC: methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitrofluorene-4-carboxylate.
Chemical Property Profile of methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate
Property Insights of methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate
The XLogP value of 4.3601 indicates that methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.86 Ų indicates high polarity, suggesting methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate has 0 hydrogen bond donor(s) and 9 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 methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate?
The CAS number of methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate is 324052-02-0.
What is the molecular formula of methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate?
The molecular formula of methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate is C20H11N3O9.
What is the molecular weight of methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate?
The molecular weight of methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate is 437.05 g/mol.
Where can I buy methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate?
You can request a quote for methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-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 methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (9E)-9-(furan-2-ylmethylidene)-2,5,7-trinitro-9H-fluorene-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.