![3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one structure](/static/products/836/836639-12-4.png)
3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
TL;DR: 3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 836639-12-4) is a chemical compound with molecular formula C22H28N2OS and molecular weight 368.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropyl)-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: 3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 3-(2-methylpropyl)-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-(2-methylpropyl)-2-(methylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C22H28N2OS |
|---|---|
| Molecular Weight | 368.19 g/mol |
| LogP | 5.0462 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.19223 |
| Heavy Atoms | 26 |
| Complexity | 878.19635 |
Chemical Identifiers
| CAS Number | 836639-12-4 |
|---|---|
| SMILES | CC(C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SC |
Product Overview
3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one (CAS 836639-12-4), with molecular formula C22H28N2OS and molecular weight 368.19 g/mol. IUPAC: 3-(2-methylpropyl)-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of 3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Property Insights of 3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
The XLogP value of 5.0462 indicates that 3-isobutyl-2-(methylthio)-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 34.89 Ų, 3-isobutyl-2-(methylthio)-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, 3-isobutyl-2-(methylthio)-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 3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The CAS number of 3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 836639-12-4.
What is the molecular formula of 3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular formula of 3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is C22H28N2OS.
What is the molecular weight of 3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
The molecular weight of 3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one is 368.19 g/mol.
Where can I buy 3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
You can request a quote for 3-isobutyl-2-(methylthio)-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 3-isobutyl-2-(methylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-isobutyl-2-(methylthio)-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.