CAS RN: 213532-95-7
(6R)-6-(HYDROXYMETHYL)-2-PIPERIDINONE
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.20260331 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS213532-95-7
- Purity/Analytical Methods: >99.0%
213532-95-7 / (6R)-6-(hydroxymethyl)piperidin-2-one
Basic Information
CAS
213532-95-7
Multi CAS
No
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
SMILES
C1C[C@@H](NC(=O)C1)CO
InChI
InChI=1S/C6H11NO2/c8-4-5-2-1-3-6(9)7-5/h5,8H,1-4H2,(H,7,9)/t5-/m1/s1
InChIKey
VMOQVTPKGUXWKA-RXMQYKEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.87
TPSA
49.33
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.32
XLogP3
-0.7
Consensus LogP
-0.46
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
Class (SILICOS-IT)
Very 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)
-3.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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