CAS RN: 20845-30-1
6-(HYDROXYMETHYL)-1-METHYL-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.20251105 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS20845-30-1
- Purity/Analytical Methods: >99.0%
20845-30-1 / 6-(hydroxymethyl)-1-methylpiperidin-2-one
Basic Information
CAS
20845-30-1
Multi CAS
No
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
CN1C(CCCC1=O)CO
InChI
InChI=1S/C7H13NO2/c1-8-6(5-9)3-2-4-7(8)10/h6,9H,2-5H2,1H3
InChIKey
HZFMUHWDTCSCFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.49
TPSA
40.54
LogP / Solubility
WLOGP
-0.01
MLOGP
-0.02
XLogP3
-0.5
Consensus LogP
-0.18
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
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)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
-
AcetaMide, 2-aMino-N-(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)-, Monohydrochloride
- CAS RN: 208459-17-0
- Product Code: starshine_CAS208459-17-0
- Purity/Analytical method: >99.0%
-
-
Bodipy 8-ChloroMethane
- CAS RN: 208462-25-3
- Product Code: starshine_CAS208462-25-3
- Purity/Analytical method: >99.0%
-
