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CAS 885518-80-9 6-IODO-3-(1H)INDAZOLE CARBOXALDEHYDE molecular structure lightbox
CAS RN: 885518-80-9

6-IODO-3-(1H)INDAZOLE CARBOXALDEHYDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250727 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-199510
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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 885518-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

885518-80-9 / 6-iodo-2H-indazole-3-carbaldehyde

Standard CAS: 885518-80-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885518-80-9
Multi CAS
No
Molecular Formula
C8H5In2O
Molecular Weight
272.040000
Exact Mass
271.944660
InChI
InChI=1S/C8H5IN2O/c9-5-1-2-6-7(3-5)10-11-8(6)4-12/h1-4H,(H,10,11)
InChIKey
IXELIHXOKMAQCO-UHFFFAOYSA-N

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
54.2
TPSA
45.75

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
2
Consensus LogP
1.91
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

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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