![CAS 1185303-90-5 3-[(4-FLUOROPHENOXY)METHYL]PYRROLIDINEHYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185303-90-5.gif)
CAS RN: 1185303-90-5
3-[(4-FLUOROPHENOXY)METHYL]PYRROLIDINEHYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260513 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1185303-90-5
- Purity/Analytical Methods: >99.0%
1185303-90-5 / 3-[(4-fluorophenoxy)methyl]pyrrolidine;hydrochloride
3-((4-Fluorophenoxy)methyl)pyrrolidine hydrochloride | 3-[(4-Fluorophenoxy)methyl]pyrrolidinehydrochloride | 3-[(4-FLUOROPHENOXY)METHYL]PYRROLIDINE HYDROCHLORIDE
Basic Information
CAS
1185303-90-5
Multi CAS
No
Molecular Formula
C11H15ClFNO
Molecular Weight
231.690000
Exact Mass
231.082620
SMILES
C1CNCC1COC2=CC=C(C=C2)F.Cl
InChI
InChI=1S/C11H14FNO.ClH/c12-10-1-3-11(4-2-10)14-8-9-5-6-13-7-9;/h1-4,9,13H,5-8H2;1H
InChIKey
UEBKSMRVBVBGRV-UHFFFAOYSA-N
Synonyms
3-((4-Fluorophenoxy)methyl)pyrrolidine hydrochloride
3-[(4-Fluorophenoxy)methyl]pyrrolidinehydrochloride
3-[(4-FLUOROPHENOXY)METHYL]PYRROLIDINE HYDROCHLORIDE
3-((4-FLUOROPHENOXY)METHYL)PYRROLIDINE HCL
MFCD09879253
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.12
TPSA
21.26
LogP / Solubility
WLOGP
2.24
MLOGP
1.97
XLogP3
2.24
Consensus LogP
2.15
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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