CAS RN: 936643-76-4
1-(PYRIMIDIN-2-YL-METHYL)-2-(PYRIMIDIN-2-YL)-PROPANOIC 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.20250823 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS936643-76-4
- Purity/Analytical Methods: >99.0%
936643-76-4 / 3-pyrimidin-2-yl-2-(pyrimidin-2-ylmethyl)propanoic acid
Basic Information
CAS
936643-76-4
Multi CAS
No
Molecular Formula
C12H12N4O2
Molecular Weight
244.250000
Exact Mass
244.096026
InChI
InChI=1S/C12H12N4O2/c17-12(18)9(7-10-13-3-1-4-14-10)8-11-15-5-2-6-16-11/h1-6,9H,7-8H2,(H,17,18)
InChIKey
MXSGIVAJXIIMDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
62.6
TPSA
88.86
LogP / Solubility
WLOGP
0.75
MLOGP
0.67
XLogP3
0.3
Consensus LogP
0.57
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68
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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