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CAS 2044704-81-4 4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-5-(trifluoromethyl)-1H-indazole molecular structure lightbox
CAS RN: 2044704-81-4

4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-5-(trifluoromethyl)-1H-indazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260511 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-096204
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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 2044704-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2044704-81-4 / 4-bromo-1-(oxan-2-yl)-5-(trifluoromethyl)indazole

Standard CAS: 2044704-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2044704-81-4
Multi CAS
No
Molecular Formula
C13H12BrF3N2O
Molecular Weight
349.150000
Exact Mass
348.008510
SMILES
C1CCOC(C1)N2C3=C(C=N2)C(=C(C=C3)C(F)(F)F)Br
InChI
InChI=1S/C13H12BrF3N2O/c14-12-8-7-18-19(11-3-1-2-6-20-11)10(8)5-4-9(12)13(15,16)17/h4-5,7,11H,1-3,6H2
InChIKey
RYXRJVPOPIYYCM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
71.28
TPSA
27.05

LogP / Solubility

WLOGP
4.52
MLOGP
3.99
XLogP3
3.9
Consensus LogP
4.14
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
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)
-1.64

Drug-likeness / Medicinal Chemistry

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

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