![2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one structure](/static/products/836/836627-14-6.png)
2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
TL;DR: 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 836627-14-6) is a chemical compound with molecular formula C26H24N2OS and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-(3-methylphenyl)-2-(prop-2-yn-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-(3-methylphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
| Molecular Formula | C26H24N2OS |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 5.30112 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.16095 |
| Heavy Atoms | 30 |
| Complexity | 1228.5115 |
Chemical Identifiers
| CAS Number | 836627-14-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC#C |
Product Overview
2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one (CAS 836627-14-6), with molecular formula C26H24N2OS and molecular weight 412.16 g/mol. IUPAC: 3-(3-methylphenyl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
Property Insights of 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
The XLogP value of 5.30112 indicates that 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-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, 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-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, 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-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 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The CAS number of 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 836627-14-6.
What is the molecular formula of 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular formula of 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is C26H24N2OS.
What is the molecular weight of 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
The molecular weight of 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one is 412.16 g/mol.
Where can I buy 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
You can request a quote for 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-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 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(prop-2-yn-1-ylthio)-3-(m-tolyl)-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.