CAS RN: 878465-57-7
1-(2-FURYLMETHYL)-5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-AMINE
- Product code: SSC-198186
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
878465-57-7 / N'-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenecarboximidamide
Basic Information
CAS
878465-57-7
Multi CAS
Yes
Molecular Formula
C12H13N3O
Molecular Weight
215.250000
Exact Mass
215.105862
InChI
InChI=1S/C12H13N3O/c1-9-8-11(16-15-9)14-12(13-2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14)
InChIKey
MOSWWFHZRNXUOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.77
TPSA
50.42
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.1
Consensus LogP
2.25
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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