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CAS 1082041-53-9 6-Iodo-3-methyl-1H-indazole molecular structure lightbox
CAS RN: 1082041-53-9

6-Iodo-3-methyl-1H-indazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250426 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-009446
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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 1082041-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1082041-53-9 / 6-iodo-3-methyl-2H-indazole

6-iodo-3-methyl-2H-indazole | DTXSID90650578 | RefChem:543467

Standard CAS: 1082041-53-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1082041-53-9
Multi CAS
No
Molecular Formula
C8H7IN2
Molecular Weight
258.060000
Exact Mass
257.965400
SMILES
CC1=C2C=CC(=CC2=NN1)I
InChI
InChI=1S/C8H7IN2/c1-5-7-3-2-6(9)4-8(7)11-10-5/h2-4H,1H3,(H,10,11)
InChIKey
WZFXTMDHAKOGFQ-UHFFFAOYSA-N
Synonyms
6-iodo-3-methyl-2H-indazole DTXSID90650578 RefChem:543467 DTXCID90601328 6-Iodo-3-methyl-1H-indazole

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.55
TPSA
28.68

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
2.6
Consensus LogP
2.42
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.54

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

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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