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CAS 1363380-81-7 1-(Aminomethyl)-3-fluoro-cyclobutanemethanol molecular structure lightbox
CAS RN: 1363380-81-7

1-(Aminomethyl)-3-fluoro-cyclobutanemethanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250318 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1363380-81-7
  • Purity/Analytical Methods: >99.0%
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1363380-81-7 / [1-(aminomethyl)-3-fluorocyclobutyl]methanol

Standard CAS: 1363380-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363380-81-7
Multi CAS
No
Molecular Formula
C6H12FNO
Molecular Weight
133.160000
Exact Mass
133.090292
SMILES
C1C(CC1(CN)CO)F
InChI
InChI=1S/C6H12FNO/c7-5-1-6(2-5,3-8)4-9/h5,9H,1-4,8H2
InChIKey
GELBQJQKCIWFQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.7
TPSA
46.25

LogP / Solubility

WLOGP
0.06
MLOGP
0.04
XLogP3
-0.4
Consensus LogP
-0.1
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
Class (SILICOS-IT)
Very 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)
-3.49

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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