CAS RN: 911222-45-2
LY2603618
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251019 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260417 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251231 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250129 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251103 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260205 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20250526 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS911222-45-2
- Purity/Analytical Methods: >99.0%
911222-45-2 / 1-[5-bromo-4-methyl-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
Basic Information
CAS
911222-45-2
Multi CAS
Yes
Molecular Formula
BC18H22O3Rn5
Molecular Weight
436.300000
Exact Mass
435.090600
InChI
InChI=1S/C18H22BrN5O3/c1-11-5-16(27-10-13-8-20-3-4-26-13)15(6-14(11)19)23-18(25)24-17-9-21-12(2)7-22-17/h5-7,9,13,20H,3-4,8,10H2,1-2H3,(H2,22,23,24,25)/t13-/m0/s1
InChIKey
SYYBDNPGDKKJDU-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
106.39
TPSA
97.4
LogP / Solubility
WLOGP
2.87
MLOGP
2.55
XLogP3
1.4
Consensus LogP
2.27
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 911227-46-8 5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDINE-2-CARBOXYLIC ACID DIETHYLAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/911227-46-8.gif)
