CAS RN: 212890-85-2
(2S)-4,4-diMethyl-2-PyrrolidineMethanol
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.20260209 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS212890-85-2
- Purity/Analytical Methods: >99.0%
212890-85-2 / [(2S)-4,4-dimethylpyrrolidin-2-yl]methanol
Basic Information
CAS
212890-85-2
Multi CAS
No
Molecular Formula
C7H15NO
Molecular Weight
129.200000
Exact Mass
129.115364
SMILES
CC1(C[C@H](NC1)CO)C
InChI
InChI=1S/C7H15NO/c1-7(2)3-6(4-9)8-5-7/h6,8-9H,3-5H2,1-2H3/t6-/m0/s1
InChIKey
DJIQDHXAMYMRRC-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.27
TPSA
32.26
LogP / Solubility
WLOGP
0.37
MLOGP
0.31
XLogP3
0.5
Consensus LogP
0.39
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
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)
-3.25
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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