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CAS RN: 1353945-21-7
(6-Chloro-2-Methanesulfinyl-pyriMidin-4-yl)-diMethyl-aMine
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.20250419 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353945-21-7
- Purity/Analytical Methods: >99.0%
1353945-21-7 / 6-chloro-N,N-dimethyl-2-methylsulfinylpyrimidin-4-amine
Basic Information
CAS
1353945-21-7
Multi CAS
No
Molecular Formula
C7H10ClN3OS
Molecular Weight
219.690000
Exact Mass
219.023311
SMILES
CN(C)C1=CC(=NC(=N1)S(=O)C)Cl
InChI
InChI=1S/C7H10ClN3OS/c1-11(2)6-4-5(8)9-7(10-6)13(3)12/h4H,1-3H3
InChIKey
XIKOVJUQYMLDAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
53.7
TPSA
46.09
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
1.1
Consensus LogP
0.95
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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