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CAS 159326-66-6 1H-Pyrrole-2-carbonitrile,1-amino-(9CI) molecular structure lightbox
CAS RN: 159326-66-6

1H-Pyrrole-2-carbonitrile,1-amino-(9CI)

Product Availability

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250718 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260221 10g In stock Shanghai Inquiry
Batchno.20260501 1g In stock Shanghai, Chengdu Inquiry
Batchno.20251121 250mg In stock Shanghai Inquiry
Batchno.20260416 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260522 25g In stock Shanghai Inquiry
Batchno.20260107 5g In stock Shanghai Inquiry
  • Product code: SSC-067321
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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: 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 159326-66-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

159326-66-6 / 1-aminopyrrole-2-carbonitrile

Standard CAS: 159326-66-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159326-66-6
Multi CAS
No
Molecular Formula
C5H5N3
Molecular Weight
107.110000
Exact Mass
107.048347
SMILES
C1=CN(C(=C1)C#N)N
InChI
InChI=1S/C5H5N3/c6-4-5-2-1-3-8(5)7/h1-3H,7H2
InChIKey
UEMNUBZZTWYSEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
29.3
TPSA
54.74

LogP / Solubility

WLOGP
0.07
MLOGP
0.05
XLogP3
1
Consensus LogP
0.37
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
Class (SILICOS-IT)
Very 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)
-3.32

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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