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CAS 27700-58-9 1H-Imidazole-4-carbonitrile,5-amino-1-methyl-(9CI) molecular structure lightbox
CAS RN: 27700-58-9

1H-Imidazole-4-carbonitrile,5-amino-1-methyl-(9CI)

  • Product code: SSC-127958
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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, 0.25g, 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 27700-58-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

27700-58-9 / 5-amino-1-methylimidazole-4-carbonitrile

Standard CAS: 27700-58-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27700-58-9
Multi CAS
No
Molecular Formula
C5H6N4
Molecular Weight
122.130000
Exact Mass
122.059246
InChI
InChI=1S/C5H6N4/c1-9-3-8-4(2-6)5(9)7/h3H,7H2,1H3
InChIKey
ASXOWXJOPXMTKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
32.34
TPSA
67.63

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.12
XLogP3
0.3
Consensus LogP
0.02
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.35
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)
-3.55

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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