![11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione structure](/static/products/672/672276-47-0.png)
11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione
TL;DR: 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione (CAS 672276-47-0) is a chemical compound with molecular formula C25H24N4S2 and molecular weight 444.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-benzylsulfanylspiro[12,13,15,17-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11,16-hexaene-9,1'-cyclohexane]-14-thione
Also Known As: 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione, 11-(benzylthio)-5H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thiol
| Molecular Formula | C25H24N4S2 |
|---|---|
| Molecular Weight | 444.14 g/mol |
| LogP | 6.50419 |
| Topological Polar Surface Area | 45.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.14423 |
| Heavy Atoms | 31 |
| Complexity | 1316.6122 |
Chemical Identifiers
| CAS Number | 672276-47-0 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C5=NNC(=S)N5C(=N4)SCC6=CC=CC=C6 |
Product Overview
11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione (CAS 672276-47-0), with molecular formula C25H24N4S2 and molecular weight 444.14 g/mol. IUPAC: 16-benzylsulfanylspiro[12,13,15,17-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11,16-hexaene-9,1'-cyclohexane]-14-thione.
Chemical Property Profile of 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione
Property Insights of 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione
The XLogP value of 6.50419 indicates that 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.98 Ų, 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione has 1 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 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione?
The CAS number of 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione is 672276-47-0.
What is the molecular formula of 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione?
The molecular formula of 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione is C25H24N4S2.
What is the molecular weight of 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione?
The molecular weight of 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione is 444.14 g/mol.
Where can I buy 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione?
You can request a quote for 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 11-(benzylsulfanyl)-2,5-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-c]quinazoline-4,1'-cyclohexane]-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.