CAS RN: 1197227-16-9
2-(2-Fluorophenyl)pyrrolidine hydrochloride
- Product code: SSC-020453
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1197227-16-9 / 2-(2-fluorophenyl)pyrrolidine;hydrochloride
2-(2-fluorophenyl)pyrrolidine hydrochloride | MFCD08456900 | 2-(2-Fluoro-phenyl)-pyrrolidine hydrochloride
Basic Information
CAS
1197227-16-9
Multi CAS
No
Molecular Formula
C10H13ClFN
Molecular Weight
201.670000
Exact Mass
201.072055
SMILES
C1CC(NC1)C2=CC=CC=C2F.Cl
InChI
InChI=1S/C10H12FN.ClH/c11-9-5-2-1-4-8(9)10-6-3-7-12-10;/h1-2,4-5,10,12H,3,6-7H2;1H
InChIKey
IPMVOKVJJJVBGC-UHFFFAOYSA-N
Synonyms
2-(2-fluorophenyl)pyrrolidine hydrochloride
MFCD08456900
2-(2-Fluoro-phenyl)-pyrrolidine hydrochloride
SCHEMBL839085
72216-04-7 (non-salt)
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.63
TPSA
12.03
LogP / Solubility
WLOGP
2.67
MLOGP
2.35
XLogP3
2.67
Consensus LogP
2.56
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.05
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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