CAS RN: 888229-73-0
1H-Pyrazol-5-ol, 3-(2-methoxyethyl)-1-methyl-
- Product code: SSC-200551
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 |
888229-73-0 / 5-(2-methoxyethyl)-2-methyl-1H-pyrazol-3-one
Basic Information
CAS
888229-73-0
Multi CAS
No
Molecular Formula
C7H12N2O2
Molecular Weight
156.180000
Exact Mass
156.089878
InChI
InChI=1S/C7H12N2O2/c1-9-7(10)5-6(8-9)3-4-11-2/h5,8H,3-4H2,1-2H3
InChIKey
MVWNRHXDWXJQIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.61
TPSA
47.02
LogP / Solubility
WLOGP
-0.1
MLOGP
-0.09
Consensus LogP
-0.06
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
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)
-3.74
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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