6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile
TL;DR: 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile (CAS 823235-64-9) is a chemical compound with molecular formula C12H10F3N3OS and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-acetyl-2-sulfanylidene-4-(trifluoromethyl)-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
Also Known As: 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile, 6-acetyl-2-sulfanylidene-4-(trifluoromethyl)-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
| Molecular Formula | C12H10F3N3OS |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 2.53927 |
| Topological Polar Surface Area | 59.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.04968 |
| Heavy Atoms | 20 |
| Complexity | 672.24097 |
Chemical Identifiers
| CAS Number | 823235-64-9 |
|---|---|
| SMILES | CC(=O)N1CCC2=C(C1)C(=C(C(=S)N2)C#N)C(F)(F)F |
Product Overview
6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile (CAS 823235-64-9), with molecular formula C12H10F3N3OS and molecular weight 301.05 g/mol. IUPAC: 6-acetyl-2-sulfanylidene-4-(trifluoromethyl)-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile
Property Insights of 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile
The XLogP value of 2.53927 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 59.89 Ų, 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile?
The CAS number of 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile is 823235-64-9.
What is the molecular formula of 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile?
The molecular formula of 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile is C12H10F3N3OS.
What is the molecular weight of 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile?
The molecular weight of 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile is 301.05 g/mol.
Where can I buy 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile?
You can request a quote for 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-acetyl-2-thioxo-4-(trifluoromethyl)-1,2,5,6,7,8-hexahydro-1,6-naphthyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.