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CAS 1147558-43-7 4-Amino-3-chloro-5-fluorobenzonitrile molecular structure lightbox
CAS RN: 1147558-43-7

4-Amino-3-chloro-5-fluorobenzonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-014492
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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: 5g
  • 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 1147558-43-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Hong Kong Inquiry

1147558-43-7 / 4-amino-3-chloro-5-fluorobenzonitrile

5-chloro-4-fluoro-1H-indazole | 5-Chloro-4-fluoro (1H)indazole | MFCD11007928

Standard CAS: 1147558-43-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1147558-43-7
Multi CAS
Yes
Molecular Formula
C7H4ClFN2
Molecular Weight
170.570000
Exact Mass
170.004704
SMILES
C1=C(C=C(C(=C1F)N)Cl)C#N
InChI
InChI=1S/C7H4ClFN2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
InChIKey
BWAFIBAPFADXHV-UHFFFAOYSA-N
Synonyms
5-chloro-4-fluoro-1H-indazole 5-Chloro-4-fluoro (1H)indazole MFCD11007928 SCHEMBL14631707 SCHEMBL28514349

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.54
TPSA
49.81

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.7
Consensus LogP
1.78
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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