CAS RN: 220991-84-4
6-AMino-1,2- dihydro-3H-indazol-3-one HCl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260202 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-106308
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: 1g, 0.1g, 0.25g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- 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.
220991-84-4 / 6-amino-1,2-dihydroindazol-3-one;hydrochloride
Basic Information
CAS
220991-84-4
Multi CAS
No
Molecular Formula
C7H8ClN3O
Molecular Weight
185.610000
Exact Mass
185.035590
SMILES
C1=CC2=C(C=C1N)NNC2=O.Cl
InChI
InChI=1S/C7H7N3O.ClH/c8-4-1-2-5-6(3-4)9-10-7(5)11;/h1-3H,8H2,(H2,9,10,11);1H
InChIKey
SKYQYCWMTWHIMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
3
Molar refractivity
50.58
TPSA
74.67
LogP / Solubility
WLOGP
0.86
MLOGP
0.76
XLogP3
0.86
Consensus LogP
0.83
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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