![12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one structure](/static/products/840/840460-97-1.png)
12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one
TL;DR: 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one (CAS 840460-97-1) is a chemical compound with molecular formula C21H26N4OS and molecular weight 382.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-17-propan-2-yl-13-propan-2-ylsulfanyl-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: 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one, 6,6-dimethyl-12-(propan-2-yl)-9-(propan-2-ylsulfanyl)-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
| Molecular Formula | C21H26N4OS |
|---|---|
| Molecular Weight | 382.18 g/mol |
| LogP | 4.4731 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.18274 |
| Heavy Atoms | 27 |
| Complexity | 1091.4901 |
Chemical Identifiers
| CAS Number | 840460-97-1 |
|---|---|
| SMILES | CC(C)N1C2=C(C(=O)N3C1=NN=C3SC(C)C)C(CC4=CC=CC=C42)(C)C |
Product Overview
12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one (CAS 840460-97-1), with molecular formula C21H26N4OS and molecular weight 382.18 g/mol. IUPAC: 9,9-dimethyl-17-propan-2-yl-13-propan-2-ylsulfanyl-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 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one
Property Insights of 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one
The XLogP value of 4.4731 indicates that 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-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, 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-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, 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
The CAS number of 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one is 840460-97-1.
What is the molecular formula of 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
The molecular formula of 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one is C21H26N4OS.
What is the molecular weight of 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
The molecular weight of 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one is 382.18 g/mol.
Where can I buy 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
You can request a quote for 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-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 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one?
Yes, KEHONG BIO provides custom synthesis services for 12-isopropyl-9-(isopropylthio)-6,6-dimethyl-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.