CAS RN: 1340052-38-1
4-Chloro-5-ethyl-6-(methylsulfanyl)-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.20250304 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1340052-38-1
- Purity/Analytical Methods: >99.0%
1340052-38-1 / 4-chloro-5-ethyl-6-methylsulfanylpyrimidine
Basic Information
CAS
1340052-38-1
Multi CAS
No
Molecular Formula
C7H9ClN2S
Molecular Weight
188.680000
Exact Mass
188.017497
SMILES
CCC1=C(N=CN=C1Cl)SC
InChI
InChI=1S/C7H9ClN2S/c1-3-5-6(8)9-4-10-7(5)11-2/h4H,3H2,1-2H3
InChIKey
TWNSRLUPJHPCBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
48.2
TPSA
25.78
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2.8
Consensus LogP
2.44
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.16
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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