CAS RN: 1788041-54-2
n-(3-bromo-1-methyl-1h-indazol-6-yl)acetamide
- Product code: SSC-079582
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 | Shanghai | Inquiry |
1788041-54-2 / N-(3-bromo-1-methylindazol-6-yl)acetamide
Basic Information
CAS
1788041-54-2
Multi CAS
No
Molecular Formula
C10H10BrN3O
Molecular Weight
268.110000
Exact Mass
267.000720
SMILES
CC(=O)NC1=CC2=C(C=C1)C(=NN2C)Br
InChI
InChI=1S/C10H10BrN3O/c1-6(15)12-7-3-4-8-9(5-7)14(2)13-10(8)11/h3-5H,1-2H3,(H,12,15)
InChIKey
XZGZCDKSOAWLGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.72
TPSA
46.92
LogP / Solubility
WLOGP
2.29
MLOGP
2.03
XLogP3
1.8
Consensus LogP
2.04
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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