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CAS 1932195-22-6 (2S)-1-[(tert-butoxy)carbonyl]-3,3-dimethylazetidine-2-carboxylic acid molecular structure lightbox
CAS RN: 1932195-22-6

(2S)-1-[(tert-butoxy)carbonyl]-3,3-dimethylazetidine-2-carboxylic acid

  • Product code: SSC-090447
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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 1932195-22-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1932195-22-6 / (2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid

Standard CAS: 1932195-22-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1932195-22-6
Multi CAS
No
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
CC1(CN([C@@H]1C(=O)O)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-6-11(4,5)7(12)8(13)14/h7H,6H2,1-5H3,(H,13,14)/t7-/m1/s1
InChIKey
CZHREJZYTWIJKW-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.14
TPSA
66.84

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.9

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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