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CAS 1086391-08-3 3-broMo-1H-indazol-5-carbaldehyde molecular structure lightbox
CAS RN: 1086391-08-3

3-broMo-1H-indazol-5-carbaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250910 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-009915
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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 1086391-08-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1086391-08-3 / 3-bromo-2H-indazole-5-carbaldehyde

3-Bromo-1H-indazole-5-carboxaldehyde | RefChem:498279 | 3-Bromo-1H-indazole-5-carbaldehyde

Standard CAS: 1086391-08-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1086391-08-3
Multi CAS
No
Molecular Formula
C8H5BrN2O
Molecular Weight
225.040000
Exact Mass
223.958530
SMILES
C1=CC2=NNC(=C2C=C1C=O)Br
InChI
InChI=1S/C8H5BrN2O/c9-8-6-3-5(4-12)1-2-7(6)10-11-8/h1-4H,(H,10,11)
InChIKey
HUUXQTDSLDFUQW-UHFFFAOYSA-N
Synonyms
3-Bromo-1H-indazole-5-carboxaldehyde RefChem:498279 3-Bromo-1H-indazole-5-carbaldehyde 3-bromo-2H-indazole-5-carbaldehyde MFCD11499015

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.18
TPSA
45.75

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
2
Consensus LogP
2.01
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.57

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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