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CAS 27802-66-0 1H-Imidazol-4-amine,2,5-dimethyl-(9CI) molecular structure lightbox
CAS RN: 27802-66-0

1H-Imidazol-4-amine,2,5-dimethyl-(9CI)

  • Product code: SSC-128164
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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 27802-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

27802-66-0 / 2,5-dimethyl-1H-imidazol-4-amine

Standard CAS: 27802-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27802-66-0
Multi CAS
No
Molecular Formula
C5H9N3
Molecular Weight
111.150000
Exact Mass
111.079647
InChI
InChI=1S/C5H9N3/c1-3-5(6)8-4(2)7-3/h6H2,1-2H3,(H,7,8)
InChIKey
KVEUKGZQWCQZTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.47
TPSA
54.7

LogP / Solubility

WLOGP
0.61
MLOGP
0.53
XLogP3
0.5
Consensus LogP
0.55
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.89
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)
-2.97

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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