CAS RN: 876866-50-1
1-(CYCLOPROPYLCARBONYL)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.20251010 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS876866-50-1
- Purity/Analytical Methods: >99.0%
876866-50-1 / 1-(cyclopropanecarbonyl)piperidine-4-carboxylic acid
Basic Information
CAS
876866-50-1
Multi CAS
No
Molecular Formula
C10H15NO3
Molecular Weight
197.230000
Exact Mass
197.105193
InChI
InChI=1S/C10H15NO3/c12-9(7-1-2-7)11-5-3-8(4-6-11)10(13)14/h7-8H,1-6H2,(H,13,14)
InChIKey
CGVFHSAITNHPHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.66
TPSA
57.61
LogP / Solubility
WLOGP
0.72
MLOGP
0.63
XLogP3
0.2
Consensus LogP
0.52
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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