![2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one structure](/static/products/1735/17351-17-6.webp)
2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
TL;DR: 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 17351-17-6) is a chemical compound with molecular formula C25H26N2OS and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, BAS 00608729, Spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one, 3-methyl-2-((phenylmethyl)thio)-, 2-(Benzylthio)-3-methyl-4-oxo-1,2,3,4,5,6-hexahydrospiro(benzo(h)quinazoline-5,1'-cyclohexane), 3-Methyl-2-((phenylmethyl)thio)spiro(benzo(h)quinazoline-5(3H),1'-cyclohexan)-4(6H)-one
| Molecular Formula | C25H26N2OS |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.17657 |
| Heavy Atoms | 29 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 17351-17-6 |
|---|---|
| SMILES | CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC=CC=C5 |
| InChIKey | GJVVEXOLUAEKGZ-UHFFFAOYSA-N |
Product Overview
2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 17351-17-6), with molecular formula C25H26N2OS and molecular weight 402.18 g/mol. IUPAC: 2-benzylsulfanyl-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Property Insights of 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
The XLogP value of 6.1 indicates that 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-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, 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-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-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The CAS number of 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 17351-17-6.
What is the molecular formula of 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular formula of 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is C25H26N2OS.
What is the molecular weight of 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular weight of 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 402.18 g/mol.
Where can I buy 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
You can request a quote for 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-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-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.