CAS RN: 1334829-84-3
2-((S)-3-Methoxy-pyrrolidin-1-yl)-ethanol
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.20251229 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1334829-84-3
- Purity/Analytical Methods: >99.0%
1334829-84-3 / 2-[(3S)-3-methoxypyrrolidin-1-yl]ethanol
Basic Information
CAS
1334829-84-3
Multi CAS
No
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
SMILES
CO[C@H]1CCN(C1)CCO
InChI
InChI=1S/C7H15NO2/c1-10-7-2-3-8(6-7)4-5-9/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKey
KECYLCNFKHGWCG-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.94
TPSA
32.7
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.27
XLogP3
-0.4
Consensus LogP
-0.32
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
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)
-3.82
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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