![2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one structure](/static/products/380/380669-04-5.png)
2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
TL;DR: 2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CAS 380669-04-5) is a chemical compound with molecular formula C30H36N2OS and molecular weight 472.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbutylsulfanyl)-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 2-(isopentylthio)-3-phenethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-[(3-methylbutyl)sulfanyl]-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-[(3-METHYLBUTYL)SULFANYL]-3-(2-PHENYLETHYL)-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOHEXAN]-4-ONE
| Molecular Formula | C30H36N2OS |
|---|---|
| Molecular Weight | 472.25 g/mol |
| LogP | 7.0492 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.25482 |
| Heavy Atoms | 34 |
| Complexity | 1192.1724 |
Chemical Identifiers
| CAS Number | 380669-04-5 |
|---|---|
| SMILES | CC(C)CCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52 |
Product Overview
2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CAS 380669-04-5), with molecular formula C30H36N2OS and molecular weight 472.25 g/mol. IUPAC: 2-(3-methylbutylsulfanyl)-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Property Insights of 2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
The XLogP value of 7.0492 indicates that 2-(3-methylbutylsulfanyl)-3-phenethylspiro[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-(3-methylbutylsulfanyl)-3-phenethylspiro[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-(3-methylbutylsulfanyl)-3-phenethylspiro[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-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The CAS number of 2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is 380669-04-5.
What is the molecular formula of 2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The molecular formula of 2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is C30H36N2OS.
What is the molecular weight of 2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The molecular weight of 2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is 472.25 g/mol.
Where can I buy 2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
You can request a quote for 2-(3-methylbutylsulfanyl)-3-phenethylspiro[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-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methylbutylsulfanyl)-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.