![3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one structure](/static/products/799/799777-92-7.webp)
3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
TL;DR: 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 799777-92-7) is a chemical compound with molecular formula C27H28N2OS and molecular weight 428.19223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-methylphenyl)methylsulfanyl]-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-[(4-methylbenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-[(4-methylphenyl)methylsulfanyl]-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Technical Specifications
| Molecular Formula | C27H28N2OS |
| Molecular Weight | 428.19223 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.19223 Da |
| Heavy Atoms | 31 |
| Complexity | 770.0 |
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CC=C)C4(CCCC4)CC5=CC=CC=C53 |
| InChIKey | SDAQVULZGDLZRJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Property Insights of 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
The XLogP value of 6.6 indicates that 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The CAS number of 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 799777-92-7.
What is the molecular formula of 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular formula of 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is C27H28N2OS.
What is the molecular weight of 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular weight of 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 428.19223 g/mol.
Where can I buy 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
You can request a quote for 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
Yes, CoreyChem provides custom synthesis services for 3-allyl-2-((4-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.