CAS RN: 4672-17-7
4-OXO-4-PIPERIDIN-1-YL-BUTYRIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251128 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS4672-17-7
- Purity/Analytical Methods: >99.0%
4672-17-7 / 4-oxo-4-piperidin-1-ylbutanoic acid
Basic Information
CAS
4672-17-7
Multi CAS
Yes
Molecular Formula
C9H15NO3
Molecular Weight
185.220000
Exact Mass
185.105193
InChI
InChI=1S/C9H15NO3/c11-8(4-5-9(12)13)10-6-2-1-3-7-10/h1-7H2,(H,12,13)
InChIKey
SMBUFGWVLVTFDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.3
TPSA
57.61
LogP / Solubility
WLOGP
0.86
MLOGP
0.76
Consensus LogP
0.54
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-3.24
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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