![6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one structure](/static/products/835/835907-40-9.png)
6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one
TL;DR: 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one (CAS 835907-40-9) is a chemical compound with molecular formula C28H40N4OS and molecular weight 480.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-ethyl-17-hexyl-13-hexylsulfanyl-9-methyl-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaen-11-one
Also Known As: 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one, 6-ethyl-12-hexyl-9-(hexylsulfanyl)-6-methyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
| Molecular Formula | C28H40N4OS |
|---|---|
| Molecular Weight | 480.29 g/mol |
| LogP | 7.0345 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 480.2923 |
| Heavy Atoms | 34 |
| Complexity | 1181.0983 |
Chemical Identifiers
| CAS Number | 835907-40-9 |
|---|---|
| SMILES | CCCCCCN1C2=C(C(=O)N3C1=NN=C3SCCCCCC)C(CC4=CC=CC=C42)(C)CC |
Product Overview
6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one (CAS 835907-40-9), with molecular formula C28H40N4OS and molecular weight 480.29 g/mol. IUPAC: 9-ethyl-17-hexyl-13-hexylsulfanyl-9-methyl-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaen-11-one.
Chemical Property Profile of 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one
Property Insights of 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one
The XLogP value of 7.0345 indicates that 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-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 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
The CAS number of 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one is 835907-40-9.
What is the molecular formula of 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
The molecular formula of 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one is C28H40N4OS.
What is the molecular weight of 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
The molecular weight of 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one is 480.29 g/mol.
Where can I buy 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
You can request a quote for 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-ethyl-12-hexyl-9-(hexylthio)-6-methyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.