CAS RN: 445040-58-4
4-Chloro-6-(Dimethylamino)-2-(Methylthio)Pyrimidine-5-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.20250122 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS445040-58-4
- Purity/Analytical Methods: >99.0%
445040-58-4 / 4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde
Basic Information
CAS
445040-58-4
Multi CAS
No
Molecular Formula
C8H10CLN3OS
Molecular Weight
231.700000
Exact Mass
231.023311
InChI
InChI=1S/C8H10ClN3OS/c1-12(2)7-5(4-13)6(9)10-8(11-7)14-3/h4H,1-3H3
InChIKey
LLBHOLZLLXNOBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
58.54
TPSA
46.09
LogP / Solubility
WLOGP
1.73
MLOGP
1.53
XLogP3
1.9
Consensus LogP
1.72
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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