CAS RN: 2222755-14-6
LOXO-292
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.20260417 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2222755-14-6
- Purity/Analytical Methods: >99.0%
2222755-14-6 / 4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]-6-[[(2R)-morpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
Basic Information
CAS
2222755-14-6
Multi CAS
No
Molecular Formula
C29H31N9O3
Molecular Weight
553.600000
Exact Mass
553.254986
SMILES
COC1=NC=C(C=C1)CN2C3CC2CN(C3)C4=NC=C(N=C4)C5=CC(=CN6C5=C(C=N6)C#N)OC[C@H]7CNCCO7
InChI
InChI=1S/C29H31N9O3/c1-39-28-3-2-19(9-34-28)14-37-21-6-22(37)16-36(15-21)27-13-32-26(12-33-27)25-7-23(41-18-24-11-31-4-5-40-24)17-38-29(25)20(8-30)10-35-38/h2-3,7,9-10,12-13,17,21-22,24,31H,4-6,11,14-16,18H2,1H3/t21?,22?,24-/m1/s1
InChIKey
GTQISTQEBXXLPC-UBVWURDFSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
21
Fraction Csp3
0.41
Rotatable bonds
8
H-bond acceptors
12
H-bond donors
1
Molar refractivity
149.78
TPSA
125.96
LogP / Solubility
WLOGP
1.9
MLOGP
1.71
XLogP3
0.8
Consensus LogP
1.47
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.75
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
10
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