![CAS 2574-42-7 {bicyclo[2.2.2]octan-1-yl}methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2574-42-7.gif)
CAS RN: 2574-42-7
{bicyclo[2.2.2]octan-1-yl}methanol
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-122226
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
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2574-42-7 / 1-bicyclo[2.2.2]octanylmethanol
Basic Information
CAS
2574-42-7
Multi CAS
No
Molecular Formula
C9H16O
Molecular Weight
140.220000
Exact Mass
140.120115
SMILES
C1CC2(CCC1CC2)CO
InChI
InChI=1S/C9H16O/c10-7-9-4-1-8(2-5-9)3-6-9/h8,10H,1-7H2
InChIKey
HNFOXZBCUXJBJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.71
TPSA
20.23
LogP / Solubility
WLOGP
1.95
MLOGP
1.71
XLogP3
2.2
Consensus LogP
1.95
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately 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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
