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 |
885519-92-6 / 3-bromo-6-chloro-4-nitro-2H-indazole
Basic Information
CAS
885519-92-6
Multi CAS
No
Molecular Formula
C7H3BRCLN3O2
Molecular Weight
276.470000
Exact Mass
274.909720
InChI
InChI=1S/C7H3BrClN3O2/c8-7-6-4(10-11-7)1-3(9)2-5(6)12(13)14/h1-2H,(H,10,11)
InChIKey
HMTZZHGVKDVBPI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.46
TPSA
71.82
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
3
Consensus LogP
2.81
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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6-AMINO-3-CHLORO-4-FLUORO (1H)INDAZOLE
- CAS RN: 885520-15-0
- Product Code: starshine_CAS885520-15-0
- Purity/Analytical method: >99.0%
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