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CAS 885126-34-1 BenzaMide, 2-[(3-iodo-1H-indazol-6-yl)thio]-N-Methyl- molecular structure lightbox
CAS RN: 885126-34-1

BenzaMide, 2-[(3-iodo-1H-indazol-6-yl)thio]-N-Methyl-

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250412 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250809 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-199245
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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 885126-34-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

885126-34-1 / 2-[(3-iodo-2H-indazol-6-yl)sulfanyl]-N-methylbenzamide

Standard CAS: 885126-34-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885126-34-1
Multi CAS
No
Molecular Formula
C15H12In3OS
Molecular Weight
409.200000
Exact Mass
408.974580
InChI
InChI=1S/C15H12IN3OS/c1-17-15(20)11-4-2-3-5-13(11)21-9-6-7-10-12(8-9)18-19-14(10)16/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKey
VHZLHFNNNDGPLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
92.77
TPSA
57.78

LogP / Solubility

WLOGP
3.68
MLOGP
3.26
XLogP3
3.6
Consensus LogP
3.51
Log S (ESOL)
-5.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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