CAS RN: 1245649-66-4
4-chloro-6-methoxy-2-vinylpyrimidine
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.20250923 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1245649-66-4
- Purity/Analytical Methods: >99.0%
1245649-66-4 / 4-chloro-2-ethenyl-6-methoxypyrimidine
Basic Information
CAS
1245649-66-4
Multi CAS
No
Molecular Formula
C7H7ClN2O
Molecular Weight
170.590000
Exact Mass
170.024691
SMILES
COC1=CC(=NC(=N1)C=C)Cl
InChI
InChI=1S/C7H7ClN2O/c1-3-6-9-5(8)4-7(10-6)11-2/h3-4H,1H2,2H3
InChIKey
BTCOGECEXAPZBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
43.69
TPSA
35.01
LogP / Solubility
WLOGP
1.78
MLOGP
1.56
XLogP3
2.3
Consensus LogP
1.88
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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