CAS RN: 1622848-92-3
GSK2982772
Product Availability
Choose a grade to view its available package options.
13 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250622 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250222 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260602 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260329 | 250mg | Out of stock | Inquiry | |
| Batchno.20260108 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260406 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250913 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260629 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS1622848-92-3
- Purity/Analytical Methods: >99.0%
1622848-92-3 / 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
Basic Information
CAS
1622848-92-3
Multi CAS
No
Molecular Formula
C20H19N5O3
Molecular Weight
377.400000
Exact Mass
377.148789
SMILES
CN1C2=CC=CC=C2OC[C@@H](C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4
InChI
InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1
InChIKey
LYPAFUINURXJSG-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
102.23
TPSA
100.21
LogP / Solubility
WLOGP
1.55
MLOGP
1.38
XLogP3
2.4
Consensus LogP
1.78
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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