CAS RN: 189232-42-6
BOHEMINE
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250805 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250612 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260128 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250614 | 250mg | Out of stock | Inquiry | |
| Batchno.20260108 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260308 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250930 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS189232-42-6
- Purity/Analytical Methods: >99.0%
189232-42-6 / 3-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
Basic Information
CAS
189232-42-6
Multi CAS
No
Molecular Formula
C18H24N6O
Molecular Weight
340.400000
Exact Mass
340.201159
SMILES
CC(C)N1C=NC2=C(N=C(N=C21)NCCCO)NCC3=CC=CC=C3
InChI
InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)
InChIKey
OPQGFIAVPSXOBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.39
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
3
Molar refractivity
99.67
TPSA
87.89
LogP / Solubility
WLOGP
2.81
MLOGP
2.49
XLogP3
3.1
Consensus LogP
2.8
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
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
No
Log Kp (skin permeation)
-2.8
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
2.5
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