![3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one structure](/static/products/488/488854-48-4.png)
3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
TL;DR: 3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CAS 488854-48-4) is a chemical compound with molecular formula C26H36N2OS and molecular weight 424.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-butyl-2-(isopentylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-butyl-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C26H36N2OS |
|---|---|
| Molecular Weight | 424.25 g/mol |
| LogP | 6.6066 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.25482 |
| Heavy Atoms | 30 |
| Complexity | 940.53516 |
Chemical Identifiers
| CAS Number | 488854-48-4 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCCC(C)C |
Product Overview
3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CAS 488854-48-4), with molecular formula C26H36N2OS and molecular weight 424.25 g/mol. IUPAC: 3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Property Insights of 3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
The XLogP value of 6.6066 indicates that 3-butyl-2-(3-methylbutylsulfanyl)spiro[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, 3-butyl-2-(3-methylbutylsulfanyl)spiro[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-(3-methylbutylsulfanyl)spiro[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 3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The CAS number of 3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is 488854-48-4.
What is the molecular formula of 3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The molecular formula of 3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is C26H36N2OS.
What is the molecular weight of 3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The molecular weight of 3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is 424.25 g/mol.
Where can I buy 3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
You can request a quote for 3-butyl-2-(3-methylbutylsulfanyl)spiro[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-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-butyl-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.