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CAS 1434141-81-7 1-Boc-3,3-difluoro-4-hydroxypyrrolidine molecular structure lightbox
CAS RN: 1434141-81-7

1-Boc-3,3-difluoro-4-hydroxypyrrolidine

  • Product code: SSC-054858
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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: 1g, 5g
  • 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 1434141-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

1434141-81-7 / tert-butyl 3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate

Standard CAS: 1434141-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1434141-81-7
Multi CAS
No
Molecular Formula
C9H15F2NO3
Molecular Weight
223.220000
Exact Mass
223.102000
SMILES
CC(C)(C)OC(=O)N1CC(C(C1)(F)F)O
InChI
InChI=1S/C9H15F2NO3/c1-8(2,3)15-7(14)12-4-6(13)9(10,11)5-12/h6,13H,4-5H2,1-3H3
InChIKey
MKRJRMARSARGCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.76
TPSA
49.77

LogP / Solubility

WLOGP
1.23
MLOGP
1.09
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-3.21

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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