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 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, 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, 3-Amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylic acid methyl ester
| Molecular Formula | C18H12F2N2O2 |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 2.63088 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.08667 |
| Heavy Atoms | 24 |
| Complexity | 913.60626 |
Chemical Identifiers
| CAS Number | 116616-96-7 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(C1(C#N)C3=CC=C(C=C3)F)C=CC=C2F)N |
Product Overview
methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate (CAS 116616-96-7), with molecular formula C18H12F2N2O2 and molecular weight 326.09 g/mol. IUPAC: methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)indene-2-carboxylate.
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 2.63088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate. The TPSA of 76.11 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 4 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 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 326.09 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-amino-1-cyano-4-fluoro-1-(4-fluorophenyl)-1H-indene-2-carboxylate?
Yes, KEHONG BIO 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.