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CAS 1956327-85-7 7-(trifluoromethyl)-1H-indazole-4-carbaldehyde molecular structure lightbox
CAS RN: 1956327-85-7

7-(trifluoromethyl)-1H-indazole-4-carbaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250127 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-092410
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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: 0.25g
  • 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 1956327-85-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1956327-85-7 / 7-(trifluoromethyl)-1H-indazole-4-carbaldehyde

Standard CAS: 1956327-85-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956327-85-7
Multi CAS
No
Molecular Formula
C9H5F3N2O
Molecular Weight
214.140000
Exact Mass
214.035397
SMILES
C1=CC(=C2C(=C1C=O)C=NN2)C(F)(F)F
InChI
InChI=1S/C9H5F3N2O/c10-9(11,12)7-2-1-5(4-15)6-3-13-14-8(6)7/h1-4H,(H,13,14)
InChIKey
DYSNXAIPWROQPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.48
TPSA
45.75

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
1.9
Consensus LogP
2.13
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

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
1.5

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