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CAS 1391463-17-4 (R)-2-(3-Fluorophenyl)pyrrolidine L-Tartrate molecular structure lightbox
CAS RN: 1391463-17-4

(R)-2-(3-Fluorophenyl)pyrrolidine L-Tartrate

  • Product code: SSC-049487
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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, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • 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 1391463-17-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry
10g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
100g >95% 5 In Stock Shanghai Inquiry

1391463-17-4 / (2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-2-(3-fluorophenyl)pyrrolidine

Standard CAS: 1391463-17-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391463-17-4
Multi CAS
No
Molecular Formula
C14H18FNO6
Molecular Weight
315.290000
Exact Mass
315.111815
SMILES
C1C[C@@H](NC1)C2=CC(=CC=C2)F.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C10H12FN.C4H6O6/c11-9-4-1-3-8(7-9)10-5-2-6-12-10;5-1(3(7)8)2(6)4(9)10/h1,3-4,7,10,12H,2,5-6H2;1-2,5-6H,(H,7,8)(H,9,10)/t10-;1-,2-/m11/s1
InChIKey
LPQAIJHTOIUGNX-PRCBPEIBSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
5
Molar refractivity
73.66
TPSA
127.09

LogP / Solubility

WLOGP
0.13
MLOGP
0.13
XLogP3
0.13
Consensus LogP
0.13
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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