CAS RN: 148990-17-4
4-(4-Methoxyphenyl)-2-(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.20260129 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS148990-17-4
- Purity/Analytical Methods: >99.0%
148990-17-4 / 4-(4-methoxyphenyl)-2-methylsulfanylpyrimidine
Basic Information
CAS
148990-17-4
Multi CAS
No
Molecular Formula
C12H12N2OS
Molecular Weight
232.300000
Exact Mass
232.067034
SMILES
COC1=CC=C(C=C1)C2=NC(=NC=C2)SC
InChI
InChI=1S/C12H12N2OS/c1-15-10-5-3-9(4-6-10)11-7-8-13-12(14-11)16-2/h3-8H,1-2H3
InChIKey
BEEYAIQJLUJSMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
65.8
TPSA
35.01
LogP / Solubility
WLOGP
2.87
MLOGP
2.53
XLogP3
2.7
Consensus LogP
2.7
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-methylbutanoic acid
- CAS RN: 148991-43-9
- Product Code: SSC-059105
-
-
ethyl 1-(4-chlorophenyl)cyclopropanecarboxylate
- CAS RN: 148992-58-9
- Product Code: SSC-059108
-
-
Dexrazoxane hydrochloride
- CAS RN: 149003-01-0
- Product Code: starshine_CAS149003-01-0
- Purity/Analytical method: >99.0%
-
1-(8-hydroxyquinolin-2-yl)ethanone
- CAS RN: 149003-37-2
- Product Code: starshine_CAS149003-37-2
- Purity/Analytical method: >99.0%
