CAS RN: 4045-31-2
4-ETHYL-4-METHYLPIPERIDINE
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.20250823 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4045-31-2
- Purity/Analytical Methods: >99.0%
4045-31-2 / 4-ethyl-4-methylpiperidine
Basic Information
CAS
4045-31-2
Multi CAS
No
Molecular Formula
C8H17N
Molecular Weight
127.230000
Exact Mass
127.136100
InChI
InChI=1S/C8H17N/c1-3-8(2)4-6-9-7-5-8/h9H,3-7H2,1-2H3
InChIKey
FMPQITXSSWLMDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.5
TPSA
12.03
LogP / Solubility
WLOGP
1.79
MLOGP
1.56
XLogP3
2
Consensus LogP
1.78
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-2.23
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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![CAS 4053-27-4 TETRACYCLO[6.6.2.0(2,7).0(9,14)]HEXADECA-2(7),3,5,9(14),10,12-HEXAEN-15-YLMETHANAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/4053-27-4.gif)