CAS RN: 618067-86-0
3-Pyrrolidinol,1-(1-methylethyl)-,(3S)-(9CI)
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.20251211 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS618067-86-0
- Purity/Analytical Methods: >99.0%
618067-86-0 / 1-propan-2-ylpyrrolidin-3-ol
Basic Information
CAS
618067-86-0
Multi CAS
Yes
Molecular Formula
C7H15NO
Molecular Weight
129.200000
Exact Mass
129.115364
InChI
InChI=1S/C7H15NO/c1-6(2)8-4-3-7(9)5-8/h6-7,9H,3-5H2,1-2H3/t7-/m0/s1
InChIKey
MYFPIRLHESHOGR-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.33
TPSA
23.47
LogP / Solubility
WLOGP
0.46
MLOGP
0.4
XLogP3
0.6
Consensus LogP
0.49
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
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)
-3.18
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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