![CAS 125273-86-1 2-(cyclohexylcarbonyl)-2,3,6,7-tetrahydro-4H-pyrazino [2,1-alpha]isoquinolin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/125273-86-1.gif)
CAS RN: 125273-86-1
2-(cyclohexylcarbonyl)-2,3,6,7-tetrahydro-4H-pyrazino [2,1-alpha]isoquinolin-4-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250618 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS125273-86-1
- Purity/Analytical Methods: >99.0%
125273-86-1 / 2-(cyclohexanecarbonyl)-6,7-dihydro-3H-pyrazino[2,1-a]isoquinolin-4-one
Basic Information
CAS
125273-86-1
Multi CAS
No
Molecular Formula
C19H22N2O2
Molecular Weight
310.400000
Exact Mass
310.168128
SMILES
C1CCC(CC1)C(=O)N2CC(=O)N3CCC4=CC=CC=C4C3=C2
InChI
InChI=1S/C19H22N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,12,15H,1-3,7-8,10-11,13H2
InChIKey
RAZNCTHEBQFYML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
88.12
TPSA
40.62
LogP / Solubility
WLOGP
2.79
MLOGP
2.47
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H412 (50%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, and P501
Customers Also Viewed
-
2-(N-FORMYLHEXAHYDROHIPPUROYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-1-ONE
- CAS RN: 125273-88-3
- Product Code: starshine_CAS125273-88-3
- Purity/Analytical method: >99.0%
-
2,5,8,11-Tetraoxatridecan-13-ol, 1,1,1-triphenyl-
- CAS RN: 125274-16-0
- Product Code: SSC-029999
-
2-(AMINOSULFONYL)-N,N-DIMETHYL-3-PYRIDINECARBOXAMIDE
- CAS RN: 125274-65-9
- Product Code: starshine_CAS125274-65-9
- Purity/Analytical method: >99.0%
-
Kihadanin A
- CAS RN: 125276-62-2
- Product Code: starshine_CAS125276-62-2
- Purity/Analytical method: >99.0%
-
-
FMOC-PRO-OPFP
- CAS RN: 125281-38-1
- Product Code: starshine_CAS125281-38-1
- Purity/Analytical method: >99.0%
