CAS RN: 313231-56-0
4,6-dimethyl-2-(2-(pyrrolidin-1-yl)ethylthio)pyrimidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251215 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS313231-56-0
- Purity/Analytical Methods: >99.0%
313231-56-0 / 4,6-dimethyl-2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidine
Basic Information
CAS
313231-56-0
Multi CAS
No
Molecular Formula
C12H19N3S
Molecular Weight
237.370000
Exact Mass
237.129969
InChI
InChI=1S/C12H19N3S/c1-10-9-11(2)14-12(13-10)16-8-7-15-5-3-4-6-15/h9H,3-8H2,1-2H3
InChIKey
ULPLKVKNJUNHHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
67.9
TPSA
29.02
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
2.4
Consensus LogP
2.23
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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)
-2.55
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
-
![CAS 313231-71-9 3-IMIDAZO[1,2-A]PYRIDIN-2-YL-PHENYLAMINE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-IMIDAZO[1,2-A]PYRIDIN-2-YL-PHENYLAMINE
- CAS RN: 313231-71-9
- Product Code: starshine_CAS313231-71-9
- Purity/Analytical method: >99.0%
-
-
6-BROMO-2-CYCLOPROPYL-QUINOLINE-4-CARBOXYLIC ACID
- CAS RN: 313241-16-6
- Product Code: SSC-136644
-
4-((4-bromo-2-methylphenyl)sulfonyl)morpholine
- CAS RN: 313250-75-8
- Product Code: SSC-136646
-
2,2-Diphenyl-N-[4-(thiazol-2-ylsulfamoyl)-phenyl]-acetamide
- CAS RN: 313254-51-2
- Product Code: starshine_CAS313254-51-2
- Purity/Analytical method: >99.0%
-
ethyl 5-(2-oxo-2-(2,3,4-trihydroxyphenyl)ethyl)furan-2-carboxylate
- CAS RN: 313254-94-3
- Product Code: starshine_CAS313254-94-3
- Purity/Analytical method: >99.0%
![CAS 313231-71-9 3-IMIDAZO[1,2-A]PYRIDIN-2-YL-PHENYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3773985(1).gif)
![CAS 313254-51-2 2,2-Diphenyl-N-[4-(thiazol-2-ylsulfamoyl)-phenyl]-acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/313254-51-2.gif)
