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CAS RN: 1527473-30-8
5-(1-Methyl-1H-pyrazol-4-yl)-4-(4-morpholinyl)-7H-Pyrrolo[2,3-d]pyrimidine
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.20260303 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1527473-30-8
- Purity/Analytical Methods: >99.0%
1527473-30-8 / 4-[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
Basic Information
CAS
1527473-30-8
Multi CAS
No
Molecular Formula
C14H16N6O
Molecular Weight
284.320000
Exact Mass
284.138559
SMILES
CN1C=C(C=N1)C2=CNC3=C2C(=NC=N3)N4CCOCC4
InChI
InChI=1S/C14H16N6O/c1-19-8-10(6-18-19)11-7-15-13-12(11)14(17-9-16-13)20-2-4-21-5-3-20/h6-9H,2-5H2,1H3,(H,15,16,17)
InChIKey
VNWKCLDQBNSJJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
79.12
TPSA
71.86
LogP / Solubility
WLOGP
1.19
MLOGP
1.06
XLogP3
0.7
Consensus LogP
0.98
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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