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CAS 2368909-42-4 4-Bromo-5-chloro-6-methyl-1-(tetrahydro-pyran-2-yl)-1H-indazole molecular structure lightbox
CAS RN: 2368909-42-4

4-Bromo-5-chloro-6-methyl-1-(tetrahydro-pyran-2-yl)-1H-indazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250711 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-115217
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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 2368909-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2368909-42-4 / 4-bromo-5-chloro-6-methyl-1-(oxan-2-yl)indazole

Standard CAS: 2368909-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2368909-42-4
Multi CAS
No
Molecular Formula
C13H14BrClN2O
Molecular Weight
329.620000
Exact Mass
327.997800
SMILES
CC1=CC2=C(C=NN2C3CCCCO3)C(=C1Cl)Br
InChI
InChI=1S/C13H14BrClN2O/c1-8-6-10-9(12(14)13(8)15)7-16-17(10)11-4-2-3-5-18-11/h6-7,11H,2-5H2,1H3
InChIKey
NHJXVSLVWFNANE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
76.02
TPSA
27.05

LogP / Solubility

WLOGP
4.46
MLOGP
3.94
XLogP3
4
Consensus LogP
4.13
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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