![4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one structure](/static/products/383/383372-20-1.png)
4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
TL;DR: 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one (CAS 383372-20-1) is a chemical compound with molecular formula C26H28N4O2S and molecular weight 460.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(furan-2-ylmethyl)-16-propan-2-ylsulfanylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
Also Known As: 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 4-(furan-2-ylmethyl)-1-(propan-2-ylsulfanyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C26H28N4O2S |
|---|---|
| Molecular Weight | 460.19 g/mol |
| LogP | 5.4578 |
| Topological Polar Surface Area | 65.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.1933 |
| Heavy Atoms | 33 |
| Complexity | 1377.5552 |
Chemical Identifiers
| CAS Number | 383372-20-1 |
|---|---|
| SMILES | CC(C)SC1=NN=C2N1C3=C(C(=O)N2CC4=CC=CO4)C5(CCCCC5)CC6=CC=CC=C63 |
Product Overview
4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one (CAS 383372-20-1), with molecular formula C26H28N4O2S and molecular weight 460.19 g/mol. IUPAC: 12-(furan-2-ylmethyl)-16-propan-2-ylsulfanylspiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one.
Chemical Property Profile of 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Property Insights of 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
The XLogP value of 5.4578 indicates that 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one. Following Lipinski's Rule of Five, 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
The CAS number of 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is 383372-20-1.
What is the molecular formula of 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
The molecular formula of 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is C26H28N4O2S.
What is the molecular weight of 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
The molecular weight of 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is 460.19 g/mol.
Where can I buy 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
You can request a quote for 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(furan-2-ylmethyl)-1-(isopropylthio)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.