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CAS 1780148-20-0 (2-Fluorocyclobutyl)methanol molecular structure lightbox
CAS RN: 1780148-20-0

(2-Fluorocyclobutyl)methanol

  • Product code: SSC-077990
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1780148-20-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Beijing Inquiry

1780148-20-0 / (2-fluorocyclobutyl)methanol

Standard CAS: 1780148-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1780148-20-0
Multi CAS
No
Molecular Formula
C5H9FO
Molecular Weight
104.120000
Exact Mass
104.063743
SMILES
C1CC(C1CO)F
InChI
InChI=1S/C5H9FO/c6-5-2-1-4(5)3-7/h4-5,7H,1-3H2
InChIKey
XCAGMHUWUXSOLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
24.71
TPSA
20.23

LogP / Solubility

WLOGP
0.73
MLOGP
0.63
XLogP3
0.7
Consensus LogP
0.69
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.06
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)
-2.84

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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