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: 0.05g, 0.1g, 0.25g, 1g
- 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.
848774-93-6 / (6-methylpyridazin-3-yl)methanol
Basic Information
CAS
848774-93-6
Multi CAS
No
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
InChI
InChI=1S/C6H8N2O/c1-5-2-3-6(4-9)8-7-5/h2-3,9H,4H2,1H3
InChIKey
FBXMCKLYDLEXMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.69
TPSA
46.01
LogP / Solubility
WLOGP
0.28
MLOGP
0.23
XLogP3
-0.6
Consensus LogP
-0.03
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
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)
-3.28
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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Lup-20(29)-en-28-oic acid, 3-[β-D-glucopyranosyl(1→4)[a-L-rhaMnopyranosyl) (1→2)-a -L-arabinopyranosyl]oxy], (3β,4a)-)
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![CAS 848777-73-1 rel-(1R,2S,5S)-3-(tert-butoxycarbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/848777-73-1.gif)
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