![2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide structure](/static/products/577/577989-67-4.png)
2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide
TL;DR: 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide (CAS 577989-67-4) is a chemical compound with molecular formula C30H33N3O2S and molecular weight 499.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-methylprop-2-enyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanyl-N-phenylpropanamide
Also Known As: 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide, 2-[3-(2-methylprop-2-enyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanyl-N-phenylpropanamide, 2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}-N-phenylpropanamide
| Molecular Formula | C30H33N3O2S |
|---|---|
| Molecular Weight | 499.23 g/mol |
| LogP | 6.3637 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.22934 |
| Heavy Atoms | 36 |
| Complexity | 1356.3522 |
Chemical Identifiers
| CAS Number | 577989-67-4 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=CC=C1)SC2=NC3=C(C(=O)N2CC(=C)C)C4(CCCCC4)CC5=CC=CC=C53 |
Product Overview
2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide (CAS 577989-67-4), with molecular formula C30H33N3O2S and molecular weight 499.23 g/mol. IUPAC: 2-[3-(2-methylprop-2-enyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanyl-N-phenylpropanamide.
Chemical Property Profile of 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide
Property Insights of 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide
The XLogP value of 6.3637 indicates that 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide 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-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide. Following Lipinski's Rule of Five, 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide 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-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide?
The CAS number of 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide is 577989-67-4.
What is the molecular formula of 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide?
The molecular formula of 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide is C30H33N3O2S.
What is the molecular weight of 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide?
The molecular weight of 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide is 499.23 g/mol.
Where can I buy 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide?
You can request a quote for 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)-N-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.