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CAS 1086391-11-8 3-Iodo 1H-indazole-6-carboxylic acid molecular structure lightbox
CAS RN: 1086391-11-8

3-Iodo 1H-indazole-6-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250609 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-009916
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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: 5g
  • 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 1086391-11-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1086391-11-8 / 3-iodo-2H-indazole-6-carboxylic acid

3-Iodo-1H-indazole-6-carboxylic acid | 3-iodo-2H-indazole-6-carboxylic acid | 3-Iodo 1H-indazole-6-carboxylic acid

Standard CAS: 1086391-11-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1086391-11-8
Multi CAS
No
Molecular Formula
C8H5IN2O2
Molecular Weight
288.040000
Exact Mass
287.939570
SMILES
C1=CC2=C(NN=C2C=C1C(=O)O)I
InChI
InChI=1S/C8H5IN2O2/c9-7-5-2-1-4(8(12)13)3-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChIKey
PTPFULUJKFPTCV-UHFFFAOYSA-N
Synonyms
3-Iodo-1H-indazole-6-carboxylic acid 3-iodo-2H-indazole-6-carboxylic acid 3-Iodo 1H-indazole-6-carboxylic acid MFCD11499016 SCHEMBL13184207

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.77
TPSA
65.98

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
1.8
Consensus LogP
1.77
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-3.15

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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