methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate
TL;DR: methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate (CAS 116616-96-7) is a chemical compound with molecular formula C18H12F2N2O2 and molecular weight 326.08667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)indene-2-carboxylate
Also Known As: methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate, methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)indene-2-carboxylate, 11G-035, methyl 3-azanyl-1-cyano-4-fluoranyl-1-(4-fluorophenyl)indene-2-carboxylate, methyl3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate
Technical Specifications
| Molecular Formula | C18H12F2N2O2 |
| Molecular Weight | 326.08667 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.08667 Da |
| Heavy Atoms | 24 |
| Complexity | 603.0 |
| SMILES | COC(=O)C1=C(C2=C(C1(C#N)C3=CC=C(C=C3)F)C=CC=C2F)N |
| InChIKey | PBNJGMAIWKFONB-UHFFFAOYSA-N |
Chemical Property Profile of methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate
Property Insights of methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate
The XLogP value of 3.0 indicates that methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate?
The CAS number of methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate is 116616-96-7.
What is the molecular formula of methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate?
The molecular formula of methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate is C18H12F2N2O2.
What is the molecular weight of methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate?
The molecular weight of methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate is 326.08667 g/mol.
Where can I buy methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate?
You can request a quote for methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.