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CAS RN: 1353984-94-7
1-(4-Chloro-6-methyl-pyrimidin-2-yl)-piperidin-4-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.20251129 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353984-94-7
- Purity/Analytical Methods: >99.0%
1353984-94-7 / 1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-4-ol
Basic Information
CAS
1353984-94-7
Multi CAS
No
Molecular Formula
C10H14ClN3O
Molecular Weight
227.690000
Exact Mass
227.082540
SMILES
CC1=CC(=NC(=N1)N2CCC(CC2)O)Cl
InChI
InChI=1S/C10H14ClN3O/c1-7-6-9(11)13-10(12-7)14-4-2-8(15)3-5-14/h6,8,15H,2-5H2,1H3
InChIKey
BIHDDXOKNIKXJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.23
TPSA
49.25
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
1.9
Consensus LogP
1.51
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1353985-43-9 1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylMethyl)-piperidin-4-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92577952(1).gif)
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![CAS 1353985-90-6 (2,3-Dihydro-benzo[1,4]dioxin-5-yl)-(3-Methyl-piperazin-1-yl)-Methanone hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12575053(1).gif)
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