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CAS 1187927-92-9 (S)-3-(4-fluorophenoxy)pyrrolidine molecular structure lightbox
CAS RN: 1187927-92-9

(S)-3-(4-fluorophenoxy)pyrrolidine

  • Product code: SSC-018794
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1187927-92-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry

1187927-92-9 / (3S)-3-(4-fluorophenoxy)pyrrolidine

3-(4-fluorophenoxy)pyrrolidine | 3-(4-fluoro-phenoxy)-pyrrolidine | (R)-3-(4-Fluoro-phenoxy)-pyrrolidine

Standard CAS: 1187927-92-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1187927-92-9
Multi CAS
Yes
Molecular Formula
C10H12FNO
Molecular Weight
181.210000
Exact Mass
181.090292
SMILES
C1CNC[C@H]1OC2=CC=C(C=C2)F
InChI
InChI=1S/C10H12FNO/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12H,5-7H2/t10-/m0/s1
InChIKey
YKPHNAHLNXEANR-JTQLQIEISA-N
Synonyms
3-(4-fluorophenoxy)pyrrolidine 3-(4-fluoro-phenoxy)-pyrrolidine (R)-3-(4-Fluoro-phenoxy)-pyrrolidine (S)-3-(4-FLUORO-PHENOXY)-PYRROLIDINE SCHEMBL3380245

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.3
TPSA
21.26

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
1.8
Consensus LogP
1.58
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.71

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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