4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile
TL;DR: 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile (CAS 445465-06-5) is a chemical compound with molecular formula C13H8F5N3O and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-methoxy-2-(1,1,2,2,2-pentafluoroethyl)quinoline-3-carbonitrile
Also Known As: 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile, 4-Amino-6-methoxy-2-(perfluoroethyl)quinoline-3-carbonitrile, 4-amino-6-methoxy-2-(1,1,2,2,2-pentafluoroethyl)quinoline-3-carbonitrile, A2740/0116402, 4-amino-6-methoxy-2-(pentafluoroethyl)quinoline-3-carbonitrile
| Molecular Formula | C13H8F5N3O |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.05875 |
| Heavy Atoms | 22 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 445465-06-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(C(=C2N)C#N)C(C(F)(F)F)(F)F |
| InChIKey | UGFPVTSWPQNZMB-UHFFFAOYSA-N |
Product Overview
4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile (CAS 445465-06-5), with molecular formula C13H8F5N3O and molecular weight 317.06 g/mol. IUPAC: 4-amino-6-methoxy-2-(1,1,2,2,2-pentafluoroethyl)quinoline-3-carbonitrile.
Chemical Property Profile of 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile
Property Insights of 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile
The XLogP value of 3.3 indicates that 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile. Following Lipinski's Rule of Five, 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile has 1 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 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile?
The CAS number of 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile is 445465-06-5.
What is the molecular formula of 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile?
The molecular formula of 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile is C13H8F5N3O.
What is the molecular weight of 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile?
The molecular weight of 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile is 317.06 g/mol.
Where can I buy 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile?
You can request a quote for 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-6-methoxy-2-pentafluoroethyl-quinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.