CAS RN: 819850-14-1
2-METHYL-3-PYRIMIDIN-2-YL-PROPIONIC ACID
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.20260406 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS819850-14-1
- Purity/Analytical Methods: >99.0%
819850-14-1 / 2-methyl-3-pyrimidin-2-ylpropanoic acid
Basic Information
CAS
819850-14-1
Multi CAS
No
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
InChI
InChI=1S/C8H10N2O2/c1-6(8(11)12)5-7-9-3-2-4-10-7/h2-4,6H,5H2,1H3,(H,11,12)
InChIKey
MUBSMKHUHLQYNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.54
TPSA
63.08
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.6
Consensus LogP
0.66
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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