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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
115215-92-4 / 1-methyl-6,7-dihydro-4H-indazol-5-one
1-methyl-6,7-dihydro-1H-indazol-5(4H)-one | 1-methyl-6,7-dihydro-4H-indazol-5-one | 1-methyl-4,5,6,7-tetrahydro-1H-indazol-5-one
Basic Information
CAS
115215-92-4
Multi CAS
No
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
SMILES
CN1C2=C(CC(=O)CC2)C=N1
InChI
InChI=1S/C8H10N2O/c1-10-8-3-2-7(11)4-6(8)5-9-10/h5H,2-4H2,1H3
InChIKey
MROQHXYFRGTYHP-UHFFFAOYSA-N
Synonyms
1-methyl-6,7-dihydro-1H-indazol-5(4H)-one
1-methyl-6,7-dihydro-4H-indazol-5-one
1-methyl-4,5,6,7-tetrahydro-1H-indazol-5-one
MFCD16619817
1,4,6,7-tetrahydro-1-methyl-5H-indazol-5-one
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
Molar refractivity
40.24
TPSA
34.89
LogP / Solubility
WLOGP
0.48
MLOGP
0.41
XLogP3
-0.1
Consensus LogP
0.26
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
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)
-3.3
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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