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CAS 1369509-72-7 5-BroMo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-c]pyridine molecular structure lightbox
CAS RN: 1369509-72-7

5-BroMo-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-c]pyridine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250707 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-046375
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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 1369509-72-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1369509-72-7 / 5-bromo-3-iodo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine

Standard CAS: 1369509-72-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1369509-72-7
Multi CAS
No
Molecular Formula
C11H11BrIN3O
Molecular Weight
408.030000
Exact Mass
406.913020
SMILES
C1CCOC(C1)N2C3=CN=C(C=C3C(=N2)I)Br
InChI
InChI=1S/C11H11BrIN3O/c12-9-5-7-8(6-14-9)16(15-11(7)13)10-3-1-2-4-17-10/h5-6,10H,1-4H2
InChIKey
MYJZYOIEGCRKAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
76.79
TPSA
39.94

LogP / Solubility

WLOGP
3.5
MLOGP
3.1
XLogP3
3
Consensus LogP
3.2
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
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)
-2.73

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
2

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