CAS RN: 438585-61-6
1-N-(Methylsulfonyl)-4-(aminomethyl)piperidine
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.20260628 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS438585-61-6
- Purity/Analytical Methods: >99.0%
438585-61-6 / N-methyl-1-methylsulfonylpiperidin-4-amine
Basic Information
CAS
438585-61-6
Multi CAS
Yes
Molecular Formula
C7H16N2O2S
Molecular Weight
192.280000
Exact Mass
192.093249
InChI
InChI=1S/C7H16N2O2S/c1-8-7-3-5-9(6-4-7)12(2,10)11/h7-8H,3-6H2,1-2H3
InChIKey
VCBIBMMEIOUYBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.5
TPSA
49.41
LogP / Solubility
WLOGP
-0.37
MLOGP
-0.33
XLogP3
-0.4
Consensus LogP
-0.37
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
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)
-4.16
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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