![CAS 1261117-66-1 tert-butyl 2-(3-bromo-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-2-oxoethylcarbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1261117-66-1.gif)
CAS RN: 1261117-66-1
tert-butyl 2-(3-bromo-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-2-oxoethylcarbamate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250806 | 100mg / 250mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-032386
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1261117-66-1 / tert-butyl N-[2-[3-bromo-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]carbamate
Basic Information
CAS
1261117-66-1
Multi CAS
No
Molecular Formula
C21H26BrFN4O3
Molecular Weight
481.400000
Exact Mass
480.117230
SMILES
CC1(C2=NC(=C(N2CCN1C(=O)CNC(=O)OC(C)(C)C)Br)C3=CC=C(C=C3)F)C
InChI
InChI=1S/C21H26BrFN4O3/c1-20(2,3)30-19(29)24-12-15(28)27-11-10-26-17(22)16(25-18(26)21(27,4)5)13-6-8-14(23)9-7-13/h6-9H,10-12H2,1-5H3,(H,24,29)
InChIKey
PGGHXAJROUEBSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
11
Fraction Csp3
0.48
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
114.3
TPSA
76.46
LogP / Solubility
WLOGP
4.05
MLOGP
3.6
XLogP3
3.2
Consensus LogP
3.62
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.51
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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