![3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one structure](/static/products/799/799823-91-9.png)
3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
TL;DR: 3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 799823-91-9) is a chemical compound with molecular formula C27H28N2OS and molecular weight 428.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylphenyl)methylsulfanyl]-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: 3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-[(2-methylbenzyl)sulfanyl]-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-[(2-methylphenyl)methylsulfanyl]-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
| Molecular Formula | C27H28N2OS |
|---|---|
| Molecular Weight | 428.19 g/mol |
| LogP | 6.06492 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.19223 |
| Heavy Atoms | 31 |
| Complexity | 1204.0986 |
Chemical Identifiers
| CAS Number | 799823-91-9 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NC3=C(C(=O)N2CC=C)C4(CCCC4)CC5=CC=CC=C53 |
Product Overview
3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 799823-91-9), with molecular formula C27H28N2OS and molecular weight 428.19 g/mol. IUPAC: 2-[(2-methylphenyl)methylsulfanyl]-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of 3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Property Insights of 3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
The XLogP value of 6.06492 indicates that 3-allyl-2-((2-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 34.89 Ų, 3-allyl-2-((2-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-((2-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
Frequently Asked Questions
What is the CAS number of 3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The CAS number of 3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 799823-91-9.
What is the molecular formula of 3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular formula of 3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is C27H28N2OS.
What is the molecular weight of 3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular weight of 3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 428.19 g/mol.
Where can I buy 3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
You can request a quote for 3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-allyl-2-((2-methylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-2-((2-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.