![CAS 1261118-05-1 tert-butyl (2-(2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-2-oxoethyl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1261118-05-1.gif)
CAS RN: 1261118-05-1
tert-butyl (2-(2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-2-oxoethyl)carbamate
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.20260429 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-032388
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 | Hong Kong | Inquiry |
1261118-05-1 / tert-butyl N-[2-[2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]carbamate
Basic Information
CAS
1261118-05-1
Multi CAS
No
Molecular Formula
C21H27FN4O3
Molecular Weight
402.500000
Exact Mass
402.206719
SMILES
CC1(C2=NC(=CN2CCN1C(=O)CNC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C
InChI
InChI=1S/C21H27FN4O3/c1-20(2,3)29-19(28)23-12-17(27)26-11-10-25-13-16(24-18(25)21(26,4)5)14-6-8-15(22)9-7-14/h6-9,13H,10-12H2,1-5H3,(H,23,28)
InChIKey
LJDKMSYKIYRTPQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
11
Fraction Csp3
0.48
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
106.6
TPSA
76.46
LogP / Solubility
WLOGP
3.29
MLOGP
2.92
XLogP3
2.1
Consensus LogP
2.77
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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