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CAS 849600-64-2 1-METHYL-1H-IMIDAZOLE-2-CARBOXAMIDINE HCL molecular structure lightbox
CAS RN: 849600-64-2

1-METHYL-1H-IMIDAZOLE-2-CARBOXAMIDINE HCL

  • Product code: SSC-192720
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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 849600-64-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

849600-64-2 / 1-methylimidazole-2-carboximidamide;hydrochloride

Standard CAS: 849600-64-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
849600-64-2
Multi CAS
Yes
Molecular Formula
C5H9CLN4
Molecular Weight
160.600000
Exact Mass
160.051574
InChI
InChI=1S/C5H8N4.ClH/c1-9-3-2-8-5(9)4(6)7;/h2-3H,1H3,(H3,6,7);1H
InChIKey
WJQAKFRHCZWOKB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.47
TPSA
67.69

LogP / Solubility

WLOGP
0.13
MLOGP
0.11
XLogP3
0.13
Consensus LogP
0.12
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
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)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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