CAS RN: 38275-50-2
2-(Methylsulfonyl)pyriMidine-5-carbonitrile
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.20260215 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS38275-50-2
- Purity/Analytical Methods: >99.0%
38275-50-2 / 2-methylsulfonylpyrimidine-5-carbonitrile
Basic Information
CAS
38275-50-2
Multi CAS
No
Molecular Formula
C6H5N3O2S
Molecular Weight
183.190000
Exact Mass
183.010248
InChI
InChI=1S/C6H5N3O2S/c1-12(10,11)6-8-3-5(2-7)4-9-6/h3-4H,1H3
InChIKey
SAZRYISVTJYEBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
39.86
TPSA
83.71
LogP / Solubility
WLOGP
-0.25
MLOGP
-0.22
XLogP3
-0.5
Consensus LogP
-0.32
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
