CAS RN: 1788041-55-3
1‐(benzenesulfonyl)‐3‐bromo‐1h‐indazole
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.20250204 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-079583
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1788041-55-3 / 1-(benzenesulfonyl)-3-bromoindazole
Basic Information
CAS
1788041-55-3
Multi CAS
No
Molecular Formula
C13H9BrN2O2S
Molecular Weight
337.190000
Exact Mass
335.956810
SMILES
C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=N2)Br
InChI
InChI=1S/C13H9BrN2O2S/c14-13-11-8-4-5-9-12(11)16(15-13)19(17,18)10-6-2-1-3-7-10/h1-9H
InChIKey
AEZFAIBJHYTTEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
76.46
TPSA
51.96
LogP / Solubility
WLOGP
3.04
MLOGP
2.69
XLogP3
3.8
Consensus LogP
3.18
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
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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