![2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide structure](/static/products/840/840482-48-6.png)
2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
TL;DR: 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide (CAS 840482-48-6) is a chemical compound with molecular formula C29H30F3N3O2S and molecular weight 541.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide, 2-(4-oxo-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide, 2-[(4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C29H30F3N3O2S |
|---|---|
| Molecular Weight | 541.20 g/mol |
| LogP | 6.8279 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 541.2011 |
| Heavy Atoms | 38 |
| Complexity | 1410.9077 |
Chemical Identifiers
| CAS Number | 840482-48-6 |
|---|---|
| SMILES | CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NC5=CC=CC=C5C(F)(F)F |
Product Overview
2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide (CAS 840482-48-6), with molecular formula C29H30F3N3O2S and molecular weight 541.20 g/mol. IUPAC: 2-(4-oxo-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
Property Insights of 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
The XLogP value of 6.8279 indicates that 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide?
The CAS number of 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide is 840482-48-6.
What is the molecular formula of 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide?
The molecular formula of 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide is C29H30F3N3O2S.
What is the molecular weight of 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide?
The molecular weight of 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide is 541.20 g/mol.
Where can I buy 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide?
You can request a quote for 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-oxo-3-propyl-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.