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CAS 1403766-73-3 1-(Azetidin-3-yl)-3-Methylazetidin-3-ol dihydrochloride molecular structure lightbox
CAS RN: 1403766-73-3

1-(Azetidin-3-yl)-3-Methylazetidin-3-ol dihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250207 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1403766-73-3
  • Purity/Analytical Methods: >99.0%
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1403766-73-3 / 1-(azetidin-3-yl)-3-methylazetidin-3-ol;dihydrochloride

Standard CAS: 1403766-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1403766-73-3
Multi CAS
No
Molecular Formula
C7H16Cl2N2O
Molecular Weight
215.120000
Exact Mass
214.063969
SMILES
CC1(CN(C1)C2CNC2)O.Cl.Cl
InChI
InChI=1S/C7H14N2O.2ClH/c1-7(10)4-9(5-7)6-2-8-3-6;;/h6,8,10H,2-5H2,1H3;2*1H
InChIKey
HNODAGHGSPSEMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.35
TPSA
35.5

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.11
XLogP3
-0.13
Consensus LogP
-0.12
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
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)
-4.13

Drug-likeness / Medicinal Chemistry

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

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