CAS RN: 1148003-35-3
9H-Purine, 2-chloro-9-Methyl-6-(4-Morpholinyl)-
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.20250708 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1148003-35-3
- Purity/Analytical Methods: >99.0%
1148003-35-3 / 4-(2-chloro-9-methylpurin-6-yl)morpholine
2-Chloro-9-methyl-6-(4-morpholinyl)-9H-purine | RefChem:259204 | 4-(2-Chloro-9-methyl-9H-purin-6-yl)morpholine
Basic Information
CAS
1148003-35-3
Multi CAS
No
Molecular Formula
C10H12ClN5O
Molecular Weight
253.690000
Exact Mass
253.073038
SMILES
CN1C=NC2=C1N=C(N=C2N3CCOCC3)Cl
InChI
InChI=1S/C10H12ClN5O/c1-15-6-12-7-8(15)13-10(11)14-9(7)16-2-4-17-5-3-16/h6H,2-5H2,1H3
InChIKey
BJALAVZIHBUVDW-UHFFFAOYSA-N
Synonyms
2-Chloro-9-methyl-6-(4-morpholinyl)-9H-purine
RefChem:259204
4-(2-Chloro-9-methyl-9H-purin-6-yl)morpholine
4-(2-chloro-9-methylpurin-6-yl)morpholine
4-(2-chloro-9-methyl-purin-6-yl)morpholine
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
64.35
TPSA
56.07
LogP / Solubility
WLOGP
0.85
MLOGP
0.76
XLogP3
1.1
Consensus LogP
0.9
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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