![CAS 262852-01-7 (3-Fluorobicyclo[1.1.1]pentan-1-yl)methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/262852-01-7.gif)
CAS RN: 262852-01-7
(3-Fluorobicyclo[1.1.1]pentan-1-yl)methanol
- Product code: SSC-123625
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, 5g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
262852-01-7 / (3-fluoro-1-bicyclo[1.1.1]pentanyl)methanol
Basic Information
CAS
262852-01-7
Multi CAS
No
Molecular Formula
C6H9FO
Molecular Weight
116.130000
Exact Mass
116.063743
SMILES
C1C2(CC1(C2)F)CO
InChI
InChI=1S/C6H9FO/c7-6-1-5(2-6,3-6)4-8/h8H,1-4H2
InChIKey
XDKHOYUFVZFMBS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.21
TPSA
20.23
LogP / Solubility
WLOGP
0.87
MLOGP
0.76
XLogP3
0.5
Consensus LogP
0.71
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 262852-11-9 3-(Trifluoromethyl)bicyclo[1.1.1]pentan-1-aminehydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/262852-11-9.gif)
