CAS RN: 914349-52-3
2-(2-AMINOPYRIMIDIN-5-YL)BENZALDEHYDE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251128 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS914349-52-3
- Purity/Analytical Methods: >99.0%
914349-52-3 / 2-(2-aminopyrimidin-5-yl)benzaldehyde
Basic Information
CAS
914349-52-3
Multi CAS
No
Molecular Formula
C11H9N3O
Molecular Weight
199.210000
Exact Mass
199.074562
InChI
InChI=1S/C11H9N3O/c12-11-13-5-9(6-14-11)10-4-2-1-3-8(10)7-15/h1-7H,(H2,12,13,14)
InChIKey
YWJYEVPDHFSBMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.27
TPSA
68.87
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
0.9
Consensus LogP
1.26
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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