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CAS 1363402-35-0 (2S)-1-[(tert-butoxy)carbonyl]-2-methylazetidine-2-carboxylic acid molecular structure lightbox
CAS RN: 1363402-35-0

(2S)-1-[(tert-butoxy)carbonyl]-2-methylazetidine-2-carboxylic acid

  • Product code: SSC-045416
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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: 3
  • 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 1363402-35-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Beijing Inquiry

1363402-35-0 / (2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid

Standard CAS: 1363402-35-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363402-35-0
Multi CAS
No
Molecular Formula
C10H17NO4
Molecular Weight
215.250000
Exact Mass
215.115758
SMILES
C[C@]1(CCN1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-6-5-10(11,4)7(12)13/h5-6H2,1-4H3,(H,12,13)/t10-/m0/s1
InChIKey
HFEGSFBKYUXELG-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.6
TPSA
66.84

LogP / Solubility

WLOGP
1.47
MLOGP
1.3
XLogP3
1.1
Consensus LogP
1.29
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-2.99

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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