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CAS RN: 1353978-16-1
1-(6-CyclopropylaMino-pyriMidin-4-yl)-piperidine-4-carboxylic 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.20250330 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353978-16-1
- Purity/Analytical Methods: >99.0%
1353978-16-1 / 1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
Basic Information
CAS
1353978-16-1
Multi CAS
No
Molecular Formula
C13H18N4O2
Molecular Weight
262.310000
Exact Mass
262.142976
SMILES
C1CC1NC2=CC(=NC=N2)N3CCC(CC3)C(=O)O
InChI
InChI=1S/C13H18N4O2/c18-13(19)9-3-5-17(6-4-9)12-7-11(14-8-15-12)16-10-1-2-10/h7-10H,1-6H2,(H,18,19)(H,14,15,16)
InChIKey
NCHYRTKGABHSKO-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
5
H-bond donors
2
Molar refractivity
71.25
TPSA
78.35
LogP / Solubility
WLOGP
1.35
MLOGP
1.2
XLogP3
1.6
Consensus LogP
1.38
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36
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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