CAS RN: 933702-51-3
2,4-dimethylpyrimidine-5-carbaldehyde
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20260512 |
250mg / 1g |
Out of stock |
5-7 business days | Inquiry |
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Product code:
starshine_CAS933702-51-3
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Purity/Analytical Methods:
>99.0%
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933702-51-3 / 2,4-dimethylpyrimidine-5-carbaldehyde
Standard CAS: 933702-51-3
Multi CAS: No
Basic Information
CAS
933702-51-3
Multi CAS
No
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
InChI
InChI=1S/C7H8N2O/c1-5-7(4-10)3-8-6(2)9-5/h3-4H,1-2H3
InChIKey
CXHZFYWWPZMSGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
36.89
TPSA
42.85
LogP / Solubility
WLOGP
0.91
MLOGP
0.79
XLogP3
0.5
Consensus LogP
0.73
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
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)
-2.91
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