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CAS 1000341-98-9 7-BROMO-4-CHLORO-3-IODO (1H)INDAZOLE molecular structure lightbox
CAS RN: 1000341-98-9

7-BROMO-4-CHLORO-3-IODO (1H)INDAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260326 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-000140
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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 1000341-98-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1000341-98-9 / 7-bromo-4-chloro-3-iodo-2H-indazole

1000341-98-9 | 7-BROMO-4-CHLORO-3-IODO-1H-INDAZOLE | 7-bromo-4-chloro-3-iodo-2H-indazole

Standard CAS: 1000341-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000341-98-9
Multi CAS
No
Molecular Formula
C7H3BrClIN2
Molecular Weight
357.370000
Exact Mass
355.821290
SMILES
C1=C(C2=C(NN=C2C(=C1)Br)I)Cl
InChI
InChI=1S/C7H3BrClIN2/c8-3-1-2-4(9)5-6(3)11-12-7(5)10/h1-2H,(H,11,12)
InChIKey
QRLBNZKOAJWBCD-UHFFFAOYSA-N
Synonyms
1000341-98-9 7-BROMO-4-CHLORO-3-IODO-1H-INDAZOLE 7-bromo-4-chloro-3-iodo-2H-indazole 1H-Indazole, 7-bromo-4-chloro-3-iodo- SCHEMBL31198884

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.52
TPSA
28.68

LogP / Solubility

WLOGP
3.58
MLOGP
3.17
XLogP3
3.6
Consensus LogP
3.45
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
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
Yes
Log Kp (skin permeation)
-2.36

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

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