CAS RN: 1233231-30-5
DSP-2230
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.20260601 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250722 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251223 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250511 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250223 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260507 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250521 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1233231-30-5
- Purity/Analytical Methods: >99.0%
1233231-30-5 / (2S)-2-[[3-cyclobutyl-5-(3,4,5-trifluorophenoxy)imidazo[4,5-b]pyridin-2-yl]methylamino]propanamide
Basic Information
CAS
1233231-30-5
Multi CAS
No
Molecular Formula
C20H20F3N5O2
Molecular Weight
419.400000
Exact Mass
419.156909
SMILES
C[C@@H](C(=O)N)NCC1=NC2=C(N1C3CCC3)N=C(C=C2)OC4=CC(=C(C(=C4)F)F)F
InChI
InChI=1S/C20H20F3N5O2/c1-10(19(24)29)25-9-16-26-15-5-6-17(27-20(15)28(16)11-3-2-4-11)30-12-7-13(21)18(23)14(22)8-12/h5-8,10-11,25H,2-4,9H2,1H3,(H2,24,29)/t10-/m0/s1
InChIKey
HHXCJIMPEJSJTG-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
102.3
TPSA
95.06
LogP / Solubility
WLOGP
3.33
MLOGP
2.96
XLogP3
2.4
Consensus LogP
2.9
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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