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CAS 1860067-55-5 2-Azetidinecarboxylic acid,3-ethyl-1-methyl, (2S)- molecular structure lightbox
CAS RN: 1860067-55-5

2-Azetidinecarboxylic acid,3-ethyl-1-methyl, (2S)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260610 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1860067-55-5
  • Purity/Analytical Methods: >99.0%
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1860067-55-5 / (2S)-3-ethyl-1-methylazetidine-2-carboxylic acid

Standard CAS: 1860067-55-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1860067-55-5
Multi CAS
No
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
CCC1CN([C@@H]1C(=O)O)C
InChI
InChI=1S/C7H13NO2/c1-3-5-4-8(2)6(5)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t5?,6-/m0/s1
InChIKey
GIYAAEWDHLFROB-GDVGLLTNSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.83
TPSA
40.54

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
XLogP3
-1.5
Consensus LogP
-0.24
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-3.3

Drug-likeness / Medicinal Chemistry

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

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