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CAS RN: 1353943-71-1
1-(6-CyclopropylaMino-pyriMidin-4-yl)-piperidine-2-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.20250506 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353943-71-1
- Purity/Analytical Methods: >99.0%
1353943-71-1 / 1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid
Basic Information
CAS
1353943-71-1
Multi CAS
No
Molecular Formula
C13H18N4O2
Molecular Weight
262.310000
Exact Mass
262.142976
SMILES
C1CCN(C(C1)C(=O)O)C2=NC=NC(=C2)NC3CC3
InChI
InChI=1S/C13H18N4O2/c18-13(19)10-3-1-2-6-17(10)12-7-11(14-8-15-12)16-9-4-5-9/h7-10H,1-6H2,(H,18,19)(H,14,15,16)
InChIKey
QBNNHZXDFUUIKD-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
71.3
TPSA
78.35
LogP / Solubility
WLOGP
1.49
MLOGP
1.32
XLogP3
2
Consensus LogP
1.6
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 1353945-79-5 [1-(6-Ethoxy-pyriMidin-4-yl)-piperidin-4-yl]-Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB32577435(1).gif)
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