CAS RN: 1033012-62-2
1-(3-fluorobenzyl)pyrrolidin-3-ol
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.20250330 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1033012-62-2
- Purity/Analytical Methods: >99.0%
1033012-62-2 / 1-[(3-fluorophenyl)methyl]pyrrolidin-3-ol
1-(3-fluorobenzyl)pyrrolidin-3-ol | 1-[(3-fluorophenyl)methyl]pyrrolidin-3-ol | 1-(3-Fluoro-benzyl)-pyrrolidin-3-ol
Basic Information
CAS
1033012-62-2
Multi CAS
No
Molecular Formula
C11H14FNO
Molecular Weight
195.230000
Exact Mass
195.105942
SMILES
C1CN(CC1O)CC2=CC(=CC=C2)F
InChI
InChI=1S/C11H14FNO/c12-10-3-1-2-9(6-10)7-13-5-4-11(14)8-13/h1-3,6,11,14H,4-5,7-8H2
InChIKey
XJARABCWDAAXPW-UHFFFAOYSA-N
Synonyms
1-(3-fluorobenzyl)pyrrolidin-3-ol
1-[(3-fluorophenyl)methyl]pyrrolidin-3-ol
1-(3-Fluoro-benzyl)-pyrrolidin-3-ol
SCHEMBL25212788
SCHEMBL29864671
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.3
TPSA
23.47
LogP / Solubility
WLOGP
1.39
MLOGP
1.22
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.92
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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