CAS RN: 865774-26-1
1-(2-methyl-1-(neopentylamino)propan-2-yl)-1H-imidazol-4-amine
- Product code: SSC-195751
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 | Shanghai | Inquiry |
865774-26-1 / 1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-amine
Basic Information
CAS
865774-26-1
Multi CAS
No
Molecular Formula
C12H24N4
Molecular Weight
224.350000
Exact Mass
224.200097
InChI
InChI=1S/C12H24N4/c1-11(2,3)7-14-8-12(4,5)16-6-10(13)15-9-16/h6,9,14H,7-8,13H2,1-5H3
InChIKey
MXGFJOMENBCJIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.29
TPSA
55.87
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
1.5
Consensus LogP
1.65
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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