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CAS RN: 1353995-31-9
(R)-1-(6-Methoxy-2-Methylsulfanyl-pyriMidin-4-yl)-pyrrolidin-3-ol
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.20260315 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353995-31-9
- Purity/Analytical Methods: >99.0%
1353995-31-9 / (3R)-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-ol
Basic Information
CAS
1353995-31-9
Multi CAS
No
Molecular Formula
C10H15N3O2S
Molecular Weight
241.310000
Exact Mass
241.088498
SMILES
COC1=NC(=NC(=C1)N2CC[C@H](C2)O)SC
InChI
InChI=1S/C10H15N3O2S/c1-15-9-5-8(11-10(12-9)16-2)13-4-3-7(14)6-13/h5,7,14H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKey
ALGHQWHZQKGRLF-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
63.2
TPSA
58.48
LogP / Solubility
WLOGP
0.78
MLOGP
0.69
XLogP3
1.3
Consensus LogP
0.92
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-3.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1353998-32-9 (S)-1-[1-(3-Fluoro-benzyl)-1H-benzoiMidazol-2-yl]-pyrrolidin-3-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62575593(1).gif)