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CAS 130966-41-5 1-tert-butyl 2-methyl (2R,3S)-3-hydroxypyrrolidine-1,2-dicarboxylate molecular structure lightbox
CAS RN: 130966-41-5

1-tert-butyl 2-methyl (2R,3S)-3-hydroxypyrrolidine-1,2-dicarboxylate

  • Product code: SSC-037520
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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
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 130966-41-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry
10g >95% 2 In Stock Shenzhen Inquiry
25g >95% 0 Out of Stock Beijing Inquiry

130966-41-5 / 1-O-tert-butyl 2-O-methyl (2R,3S)-3-hydroxypyrrolidine-1,2-dicarboxylate

Standard CAS: 130966-41-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130966-41-5
Multi CAS
No
Molecular Formula
C11H19NO5
Molecular Weight
245.270000
Exact Mass
245.126323
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]1C(=O)OC)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-5-7(13)8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKey
SVSSZFBZFUSINI-JGVFFNPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.37
TPSA
76.07

LogP / Solubility

WLOGP
0.53
MLOGP
0.47
XLogP3
1.1
Consensus LogP
0.7
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.84

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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