CAS RN: 434941-56-7
4-(4-Chlorophenyl)-2-(Methylsulfonyl)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.20250116 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS434941-56-7
- Purity/Analytical Methods: >99.0%
434941-56-7 / 4-(4-chlorophenyl)-2-methylsulfonylpyrimidine
Basic Information
CAS
434941-56-7
Multi CAS
No
Molecular Formula
C11H9CLN2O2S
Molecular Weight
268.720000
Exact Mass
268.007326
InChI
InChI=1S/C11H9ClN2O2S/c1-17(15,16)11-13-7-6-10(14-11)8-2-4-9(12)5-3-8/h2-7H,1H3
InChIKey
ADGRYYARNGJCIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
65.59
TPSA
59.92
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2.1
Consensus LogP
2.08
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
3-(4-BENZYL-PIPERIDIN-1-YL)-PROPIONIC ACID
- CAS RN: 435270-83-0
- Product Code: starshine_CAS435270-83-0
- Purity/Analytical method: >99.0%
-
-
1H-Isoindole-4-carbonitrile,2,3-dihydro-1-oxo-
- CAS RN: 435273-34-0
- Product Code: SSC-151702
-
