1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one
TL;DR: 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one (CAS 133958-39-1) is a chemical compound with molecular formula C20H26N2O2 and molecular weight 326.19943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(cyclohexanecarbonyl)-1,2,4,7,8,12b-hexahydro-[1,4]diazepino[7,1-a]isoquinolin-5-one
Also Known As: 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one, (1,4)Diazepino(7,1-a)isoquinolin-5(2H)-one, 1,3,4,7,8,12b-hexahydro-3-(cyclohexylcarbonyl)-, (1,4)Diazepino(7,1-a)isoquinolin-5(2H)-one, 3-(cyclohexylcarbonyl)-1,3,4,7,8,12b-hexahydro-, 3-(cyclohexanecarbonyl)-1,2,4,7,8,12b-hexahydro-[1,4]diazepino[7,1-a]isoquinolin-5-one, 1,2,3,4,5,6,7,12b-Octahydro-3-(cyclohexanecarbonyl)-1,4-diazepino[1,7-a]isoquinoline-5-one
Technical Specifications
| Molecular Formula | C20H26N2O2 |
| Molecular Weight | 326.19943 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.19943 Da |
| Heavy Atoms | 24 |
| Complexity | 486.0 |
| SMILES | C1CCC(CC1)C(=O)N2CCC3C4=CC=CC=C4CCN3C(=O)C2 |
| InChIKey | SVYGPONWGQHWRD-UHFFFAOYSA-N |
Chemical Property Profile of 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one
Property Insights of 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one
The XLogP value of 3.0 indicates that 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one?
The CAS number of 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one is 133958-39-1.
What is the molecular formula of 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one?
The molecular formula of 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one is C20H26N2O2.
What is the molecular weight of 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one?
The molecular weight of 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one is 326.19943 g/mol.
Where can I buy 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one?
You can request a quote for 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one?
Yes, CoreyChem provides custom synthesis services for 1,3,4,7,8,12b-Hexahydro-3-(cyclohexylcarbonyl)-(1,4)diazepino(7,1-a)isoquinolin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.