![3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one structure](/static/products/488/488107-41-1.png)
3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
TL;DR: 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CAS 488107-41-1) is a chemical compound with molecular formula C29H32N2O2S and molecular weight 472.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-butyl-2-((2-oxo-2-phenylethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C29H32N2O2S |
|---|---|
| Molecular Weight | 472.22 g/mol |
| LogP | 6.4434 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.21844 |
| Heavy Atoms | 34 |
| Complexity | 1242.7306 |
Chemical Identifiers
| CAS Number | 488107-41-1 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)C5=CC=CC=C5 |
Product Overview
3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CAS 488107-41-1), with molecular formula C29H32N2O2S and molecular weight 472.22 g/mol. IUPAC: 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Property Insights of 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
The XLogP value of 6.4434 indicates that 3-butyl-2-phenacylsulfanylspiro[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 51.96 Ų, 3-butyl-2-phenacylsulfanylspiro[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, 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The CAS number of 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is 488107-41-1.
What is the molecular formula of 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The molecular formula of 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is C29H32N2O2S.
What is the molecular weight of 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The molecular weight of 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is 472.22 g/mol.
Where can I buy 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
You can request a quote for 3-butyl-2-phenacylsulfanylspiro[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 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-butyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.