![CAS 1246349-99-4 1H-Pyrazolo[4,3-c]pyridine,3-broMo-4-chloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246349-99-4.gif)
CAS RN: 1246349-99-4
1H-Pyrazolo[4,3-c]pyridine,3-broMo-4-chloro-
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.20260524 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-028641
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1246349-99-4 / 3-bromo-4-chloro-2H-pyrazolo[4,3-c]pyridine
Basic Information
CAS
1246349-99-4
Multi CAS
No
Molecular Formula
C6H3BrClN3
Molecular Weight
232.460000
Exact Mass
230.919890
SMILES
C1=CN=C(C2=C(NN=C21)Br)Cl
InChI
InChI=1S/C6H3BrClN3/c7-5-4-3(10-11-5)1-2-9-6(4)8/h1-2H,(H,10,11)
InChIKey
CTZAGTLJGOBGEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.6
TPSA
41.57
LogP / Solubility
WLOGP
2.37
MLOGP
2.09
XLogP3
2.5
Consensus LogP
2.32
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
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![CAS 1246401-48-8 (4R,4’R)-2,2′-Cyclobutylidenebis[4,5-dihydro-4-phenyloxazole] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246401-48-8.gif)
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