Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate
TL;DR: Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate (CAS 400087-68-5) is a chemical compound with molecular formula C19H15FN2O2 and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3H-naphthalene-2-carboxylate
Also Known As: methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate, Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3H-naphthalene-2-carboxylate, 8G-008, methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydronaphthalene-2-carboxylate, methyl1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydronaphthalene-2-carboxylate
| Molecular Formula | C19H15FN2O2 |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 2.88188 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.11176 |
| Heavy Atoms | 24 |
| Complexity | 883.985 |
Chemical Identifiers
| CAS Number | 400087-68-5 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(C=CC=C2F)C(C1)(C#N)C3=CC=CC=C3)N |
Product Overview
Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate (CAS 400087-68-5), with molecular formula C19H15FN2O2 and molecular weight 322.11 g/mol. IUPAC: methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3H-naphthalene-2-carboxylate.
Chemical Property Profile of Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate
Property Insights of Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate
The XLogP value of 2.88188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate. Following Lipinski's Rule of Five, Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate 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 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate?
The CAS number of Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate is 400087-68-5.
What is the molecular formula of Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate?
The molecular formula of Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate is C19H15FN2O2.
What is the molecular weight of Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate?
The molecular weight of Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate is 322.11 g/mol.
Where can I buy Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate?
You can request a quote for Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-amino-4-cyano-8-fluoro-4-phenyl-3,4-dihydro-2-naphthalenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.