CAS RN: 1222998-36-8
Torin 1
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250901 | 10mg / 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai, Guangdong, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260127 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250523 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260618 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251113 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250920 | 250mg | Out of stock | Inquiry | |
| Batchno.20250331 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251123 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1222998-36-8
- Purity/Analytical Methods: >99.0%
1222998-36-8 / 1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
Basic Information
CAS
1222998-36-8
Multi CAS
No
Molecular Formula
C35H28F3N5O2
Molecular Weight
607.600000
Exact Mass
607.219510
SMILES
CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)C=CC4=CN=C5C=CC(=CC5=C43)C6=CC7=CC=CC=C7N=C6)C(F)(F)F
InChI
InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3
InChIKey
AKCRNFFTGXBONI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
30
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
169.67
TPSA
71.33
LogP / Solubility
WLOGP
6.83
MLOGP
6.06
XLogP3
6
Consensus LogP
6.3
Log S (ESOL)
-8.14
Class (ESOL)
Insoluble
Log S (Ali)
-9.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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