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CAS 1082041-91-5 4-Chloro-5-cyano (1H)indazole molecular structure lightbox
CAS RN: 1082041-91-5

4-Chloro-5-cyano (1H)indazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-009458
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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 1082041-91-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1082041-91-5 / 4-chloro-1H-indazole-5-carbonitrile

4-chloro-1H-indazole-5-carbonitrile | MFCD11007934 | 4-Chloro-5-cyano (1H)indazole

Standard CAS: 1082041-91-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1082041-91-5
Multi CAS
No
Molecular Formula
C8H4ClN3
Molecular Weight
177.590000
Exact Mass
177.009375
SMILES
C1=CC2=C(C=NN2)C(=C1C#N)Cl
InChI
InChI=1S/C8H4ClN3/c9-8-5(3-10)1-2-7-6(8)4-11-12-7/h1-2,4H,(H,11,12)
InChIKey
HKLXPJOGSHCVGX-UHFFFAOYSA-N
Synonyms
4-chloro-1H-indazole-5-carbonitrile MFCD11007934 4-Chloro-5-cyano (1H)indazole SCHEMBL13745163 DTXSID801292923

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.82
TPSA
52.47

LogP / Solubility

WLOGP
2.09
MLOGP
1.83
XLogP3
1.9
Consensus LogP
1.94
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

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

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