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CAS 7126-38-7 3-CYANOPYRROLE molecular structure lightbox
CAS RN: 7126-38-7

3-CYANOPYRROLE

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250707 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250919 50mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-180910
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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: ＞97%
  • 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 7126-38-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

7126-38-7 / 1H-pyrrole-3-carbonitrile

Standard CAS: 7126-38-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7126-38-7
Multi CAS
Yes
Molecular Formula
C5H4N2
Molecular Weight
92.100000
Exact Mass
92.037448
InChI
InChI=1S/C5H4N2/c6-3-5-1-2-7-4-5/h1-2,4,7H
InChIKey
PCYWMDGJYQAMCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
25.51
TPSA
39.58

LogP / Solubility

WLOGP
0.89
MLOGP
0.77
XLogP3
0.4
Consensus LogP
0.69
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
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)
-2.65

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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