Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1174132-49-0 / 4-methyl-1-(oxan-2-yl)pyrazole
4-methyl-1-(oxan-2-yl)pyrazole | 4-methyl-1-(tetrahydro-pyran-2-yl)-1h-pyrazole | 4-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
Basic Information
CAS
1174132-49-0
Multi CAS
No
Molecular Formula
C9H14N2O
Molecular Weight
166.220000
Exact Mass
166.110613
SMILES
CC1=CN(N=C1)C2CCCCO2
InChI
InChI=1S/C9H14N2O/c1-8-6-10-11(7-8)9-4-2-3-5-12-9/h6-7,9H,2-5H2,1H3
InChIKey
APOYGZOBMBVIPS-UHFFFAOYSA-N
Synonyms
4-methyl-1-(oxan-2-yl)pyrazole
4-methyl-1-(tetrahydro-pyran-2-yl)-1h-pyrazole
4-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
MFCD23161374
4-Methyl-1-(tetrahydro-2H-pyran-2-yl)pyrazole
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.8
TPSA
27.05
LogP / Solubility
WLOGP
1.89
MLOGP
1.66
XLogP3
1.4
Consensus LogP
1.65
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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