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CAS 877969-69-2 1H-Indazole-3-carboxamide, N-[1-(3,4-difluorophenyl)ethyl]- molecular structure lightbox
CAS RN: 877969-69-2

1H-Indazole-3-carboxamide, N-[1-(3,4-difluorophenyl)ethyl]-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250318 5mg / 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-198091
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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: 0.1g
  • 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 877969-69-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

877969-69-2 / N-[(1S)-1-(3,4-difluorophenyl)ethyl]-1H-indazole-3-carboxamide

Standard CAS: 877969-69-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
877969-69-2
Multi CAS
Yes
Molecular Formula
C16F2H13N3O
Molecular Weight
301.290000
Exact Mass
301.102668
InChI
InChI=1S/C16H13F2N3O/c1-9(10-6-7-12(17)13(18)8-10)19-16(22)15-11-4-2-3-5-14(11)20-21-15/h2-9H,1H3,(H,19,22)(H,20,21)/t9-/m0/s1
InChIKey
MVHNHGGJTMFAQP-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
78.33
TPSA
57.78

LogP / Solubility

WLOGP
3.33
MLOGP
2.94
XLogP3
3.3
Consensus LogP
3.19
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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