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CAS 426844-22-6 (2S,4S)-tert-Butyl 2-carbamoyl-4-fluoropyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 426844-22-6

(2S,4S)-tert-Butyl 2-carbamoyl-4-fluoropyrrolidine-1-carboxylate

  • Product code: SSC-150972
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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
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 426844-22-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

426844-22-6 / tert-butyl 2-carbamoyl-4-fluoropyrrolidine-1-carboxylate

Standard CAS: 426844-22-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
426844-22-6
Multi CAS
Yes
Molecular Formula
C10FH17N2O3
Molecular Weight
232.250000
Exact Mass
232.122321
InChI
InChI=1S/C10H17FN2O3/c1-10(2,3)16-9(15)13-5-6(11)4-7(13)8(12)14/h6-7H,4-5H2,1-3H3,(H2,12,14)
InChIKey
SQGNCVVKJIZGLC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.44
TPSA
72.63

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.6
Consensus LogP
0.71
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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