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CAS 771-51-7 3-Indoleacetonitrile molecular structure lightbox
CAS RN: 771-51-7

3-Indoleacetonitrile

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260321 25g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250425 5g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260211 100g In stock Shanghai Inquiry
Batchno.20250929 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260521 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250610 25g In stock Shanghai Inquiry
Batchno.20250227 500g In stock Shanghai Inquiry
Batchno.20251201 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251211 5g In stock Shanghai, Hebei Inquiry
  • Product code: SSC-186546
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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: 25g
  • Available purity: ≥98%
  • 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 771-51-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

771-51-7 / 2-(1H-indol-3-yl)acetonitrile

Standard CAS: 771-51-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
771-51-7
Multi CAS
No
Molecular Formula
C10H8N2
Molecular Weight
156.180000
Exact Mass
156.068748
InChI
InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
InChIKey
DMCPFOBLJMLSNX-UHFFFAOYSA-N

Physical Properties

Melting Point
35 - 37 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.62
TPSA
39.58

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
1.6
Consensus LogP
1.93
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.09

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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