CAS RN: 1245648-65-0
4-chloro-6-methoxypyrimidine-2-carbaldehyde
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.20260306 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1245648-65-0
- Purity/Analytical Methods: >99.0%
1245648-65-0 / 4-chloro-6-methoxypyrimidine-2-carbaldehyde
Basic Information
CAS
1245648-65-0
Multi CAS
No
Molecular Formula
C6H5ClN2O2
Molecular Weight
172.570000
Exact Mass
172.003955
SMILES
COC1=CC(=NC(=N1)C=O)Cl
InChI
InChI=1S/C6H5ClN2O2/c1-11-6-2-4(7)8-5(3-10)9-6/h2-3H,1H3
InChIKey
GWZMRGYYXPLSSS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
38.98
TPSA
52.08
LogP / Solubility
WLOGP
0.95
MLOGP
0.83
XLogP3
1.3
Consensus LogP
1.03
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.1
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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