CAS RN: 1094067-13-6
SCH1473759 (HCl salt)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260511 | 2mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1094067-13-6
- Purity/Analytical Methods: >99.0%
1094067-13-6 / 2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride
SCH-1473759 hydrochloride | SCH-1473759 (hydrochloride) | SCH1473759 (HCl salt)
Basic Information
CAS
1094067-13-6
Multi CAS
Yes
Molecular Formula
C20H27ClN8OS
Molecular Weight
463.000000
Exact Mass
462.171706
SMILES
CCN(CC1=NSC(=C1)NC2=NC(=CN3C2=NC=C3C4=CNN=C4)C)C(C)(C)CO.Cl
InChI
InChI=1S/C20H26N8OS.ClH/c1-5-27(20(3,4)12-29)11-15-6-17(30-26-15)25-18-19-21-9-16(14-7-22-23-8-14)28(19)10-13(2)24-18;/h6-10,29H,5,11-12H2,1-4H3,(H,22,23)(H,24,25);1H
InChIKey
YBAZMWNWFHDNTH-UHFFFAOYSA-N
Synonyms
SCH-1473759 hydrochloride
SCH-1473759 (hydrochloride)
SCH1473759 (HCl salt)
CHEMBL1650533
2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
19
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
3
Molar refractivity
125.2
TPSA
107.26
LogP / Solubility
WLOGP
3.64
MLOGP
3.24
XLogP3
3.64
Consensus LogP
3.51
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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