CAS RN: 875318-46-0
Ethyl 2-(4-(hydroxymethyl)piperidin-1-yl)pyrimidine-5-carboxylate
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250302 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260630 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260115 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20251215 | 25g | In stock | Shenzhen | Inquiry |
| Batchno.20260426 | 5g | In stock | Tianjin | Inquiry |
- Product code: starshine_CAS875318-46-0
- Purity/Analytical Methods: >99.0%
875318-46-0 / ethyl 2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-5-carboxylate
Basic Information
CAS
875318-46-0
Multi CAS
No
Molecular Formula
C13H19N3O3
Molecular Weight
265.310000
Exact Mass
265.142641
InChI
InChI=1S/C13H19N3O3/c1-2-19-12(18)11-7-14-13(15-8-11)16-5-3-10(9-17)4-6-16/h7-8,10,17H,2-6,9H2,1H3
InChIKey
NPJBMYLMWPCRIY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
70.01
TPSA
75.55
LogP / Solubility
WLOGP
0.86
MLOGP
0.77
XLogP3
0.9
Consensus LogP
0.84
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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