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CAS 885518-30-9 4,6-DIBROMO-1H-INDAZOLE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 885518-30-9

4,6-DIBROMO-1H-INDAZOLE-3-CARBOXYLIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250703 100mg In stock Shanghai Inquiry
Batchno.20260118 1g In stock Shanghai Inquiry
Batchno.20250107 250mg In stock Shanghai Inquiry
  • Product code: SSC-199492
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 885518-30-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

885518-30-9 / 4,6-dibromo-1H-indazole-3-carboxylic acid

Standard CAS: 885518-30-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885518-30-9
Multi CAS
No
Molecular Formula
C8H4BR2N2O2
Molecular Weight
319.940000
Exact Mass
319.861900
InChI
InChI=1S/C8H4Br2N2O2/c9-3-1-4(10)6-5(2-3)11-12-7(6)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKey
IRPZPQUTXGHQIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.45
TPSA
65.98

LogP / Solubility

WLOGP
2.79
MLOGP
2.47
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
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)
-2.69

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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