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CAS 1523606-43-0 3-Isopropoxyazetidine-3-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 1523606-43-0

3-Isopropoxyazetidine-3-carboxylic acid hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250621 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1523606-43-0
  • Purity/Analytical Methods: >99.0%
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1523606-43-0 / 3-propan-2-yloxyazetidine-3-carboxylic acid;hydrochloride

Standard CAS: 1523606-43-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1523606-43-0
Multi CAS
No
Molecular Formula
C7H14ClNO3
Molecular Weight
195.640000
Exact Mass
195.066221
SMILES
CC(C)OC1(CNC1)C(=O)O.Cl
InChI
InChI=1S/C7H13NO3.ClH/c1-5(2)11-7(6(9)10)3-8-4-7;/h5,8H,3-4H2,1-2H3,(H,9,10);1H
InChIKey
KQMYUZKQDAQHMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.71
TPSA
58.56

LogP / Solubility

WLOGP
0.26
MLOGP
0.23
XLogP3
0.26
Consensus LogP
0.25
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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