CAS RN: 279236-52-1
2-(1-carbamoylpiperidin-4-yl)acetic 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.20250531 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS279236-52-1
- Purity/Analytical Methods: >99.0%
279236-52-1 / 2-(1-carbamoylpiperidin-4-yl)acetic acid
Basic Information
CAS
279236-52-1
Multi CAS
No
Molecular Formula
C8H14N2O3
Molecular Weight
186.210000
Exact Mass
186.100442
InChI
InChI=1S/C8H14N2O3/c9-8(13)10-3-1-6(2-4-10)5-7(11)12/h6H,1-5H2,(H2,9,13)(H,11,12)
InChIKey
UHCZEASPZTXWPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.13
TPSA
83.63
LogP / Solubility
WLOGP
0.25
MLOGP
0.22
XLogP3
-0.6
Consensus LogP
-0.04
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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