CAS RN: 816425-22-6
2-PyrrolidineMethanol, α,α-diMethyl-, hydrochloride (1:1), (2R)-
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.20251225 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS816425-22-6
- Purity/Analytical Methods: >99.0%
816425-22-6 / 2-pyrrolidin-2-ylpropan-2-ol;hydrochloride
Basic Information
CAS
816425-22-6
Multi CAS
Yes
Molecular Formula
C7H16CLNO
Molecular Weight
165.660000
Exact Mass
165.092042
InChI
InChI=1S/C7H15NO.ClH/c1-7(2,9)6-4-3-5-8-6;/h6,8-9H,3-5H2,1-2H3;1H/t6-;/m1./s1
InChIKey
KQOPQWJUWQBPPM-FYZOBXCZSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.57
TPSA
32.26
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
0.93
Consensus LogP
0.89
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
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)
-3.07
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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