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CAS 685522-76-3 3-IODO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE molecular structure lightbox
CAS RN: 685522-76-3

3-IODO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250913 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-178295
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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 685522-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

685522-76-3 / 3-iodo-1-methylpyrazolo[5,4-b]pyridine

Standard CAS: 685522-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
685522-76-3
Multi CAS
No
Molecular Formula
C7H6In3
Molecular Weight
259.050000
Exact Mass
258.960640
InChI
InChI=1S/C7H6IN3/c1-11-7-5(6(8)10-11)3-2-4-9-7/h2-4H,1H3
InChIKey
SRUIXHHHURATSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
51.23
TPSA
30.71

LogP / Solubility

WLOGP
1.57
MLOGP
1.39
XLogP3
1.5
Consensus LogP
1.49
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-3.18

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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