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CAS 937046-97-4 1-aminopyrrole-2-carbonitrile hydrochloride molecular structure lightbox
CAS RN: 937046-97-4

1-aminopyrrole-2-carbonitrile hydrochloride

  • Product code: SSC-208131
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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 937046-97-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

937046-97-4 / 1-aminopyrrole-2-carbonitrile;hydrochloride

Standard CAS: 937046-97-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
937046-97-4
Multi CAS
Yes
Molecular Formula
C5H6CLN3
Molecular Weight
143.570000
Exact Mass
143.025025
InChI
InChI=1S/C5H5N3.ClH/c6-4-5-2-1-3-8(5)7;/h1-3H,7H2;1H
InChIKey
OQTSWPFWLRHRAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.55
TPSA
54.74

LogP / Solubility

WLOGP
0.5
MLOGP
0.43
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
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)
-3.24

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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