![2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one structure](/static/products/3316/331665-69-1.webp)
2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
TL;DR: 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CAS 331665-69-1) is a chemical compound with molecular formula C29H32N2OS and molecular weight 456.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 2-(benzylsulfanyl)-3-cyclopentyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-(benzylthio)-3-cyclopentyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-(BENZYLSULFANYL)-3-CYCLOPENTYL-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOHEXAN]-4-ONE, 3-cyclopentyl-2-(phenylmethylthio)spiro[3,5,6-trihydrobenzo[h]quinazoline-5,1' -cyclohexane]-4-one
| Molecular Formula | C29H32N2OS |
|---|---|
| Molecular Weight | 456.22 g/mol |
| LogP | 7.0757 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.22354 |
| Heavy Atoms | 33 |
| Complexity | 1204.0366 |
Chemical Identifiers
| CAS Number | 331665-69-1 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=CC=CC=C5)C6CCCC6 |
Product Overview
2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CAS 331665-69-1), with molecular formula C29H32N2OS and molecular weight 456.22 g/mol. IUPAC: 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Property Insights of 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
The XLogP value of 7.0757 indicates that 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-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-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-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-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The CAS number of 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is 331665-69-1.
What is the molecular formula of 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The molecular formula of 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is C29H32N2OS.
What is the molecular weight of 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The molecular weight of 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is 456.22 g/mol.
Where can I buy 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
You can request a quote for 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-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-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-benzylsulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.