.gif)
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
34122-57-1 / 1-methyl-4,5-dihydroimidazol-2-amine;hydrobromide
Basic Information
CAS
34122-57-1
Multi CAS
No
Molecular Formula
BC4H10Rn3
Molecular Weight
180.050000
Exact Mass
179.005810
InChI
InChI=1S/C4H9N3.BrH/c1-7-3-2-6-4(7)5;/h2-3H2,1H3,(H2,5,6);1H
InChIKey
MHWCDQADKQTWOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.44
TPSA
41.62
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.16
XLogP3
-0.18
Consensus LogP
-0.17
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
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)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
.gif)
.gif)
.gif)
.gif)
.gif)
.gif)