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CAS 2309475-53-2 (1-Methylaminomethyl-cyclopropyl)-methanol hydrochloride molecular structure lightbox
CAS RN: 2309475-53-2

(1-Methylaminomethyl-cyclopropyl)-methanol hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250411 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS2309475-53-2
  • Purity/Analytical Methods: >99.0%
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2309475-53-2 / [1-(methylaminomethyl)cyclopropyl]methanol;hydrochloride

Standard CAS: 2309475-53-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2309475-53-2
Multi CAS
No
Molecular Formula
C6H14ClNO
Molecular Weight
151.630000
Exact Mass
151.076392
SMILES
CNCC1(CC1)CO.Cl
InChI
InChI=1S/C6H13NO.ClH/c1-7-4-6(5-8)2-3-6;/h7-8H,2-5H2,1H3;1H
InChIKey
PNJMEGNTUJBEEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.93
TPSA
32.26

LogP / Solubility

WLOGP
0.4
MLOGP
0.35
XLogP3
0.4
Consensus LogP
0.38
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-3.36

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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