CAS RN: 4404-32-4
(1Z)-2-(1H-BENZIMIDAZOL-2-YL)-N’-HYDROXYETHANIMIDAMIDE
- Product code: SSC-152107
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 | Hong Kong | Inquiry |
4404-32-4 / 2-(1H-benzimidazol-2-yl)-N'-hydroxyethanimidamide
Basic Information
CAS
4404-32-4
Multi CAS
Yes
Molecular Formula
C9H10N4O
Molecular Weight
190.200000
Exact Mass
190.085461
InChI
InChI=1S/C9H10N4O/c10-8(13-14)5-9-11-6-3-1-2-4-7(6)12-9/h1-4,14H,5H2,(H2,10,13)(H,11,12)
InChIKey
WKGKAABDZKCWKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
53.21
TPSA
87.29
LogP / Solubility
WLOGP
0.85
MLOGP
0.75
XLogP3
0.9
Consensus LogP
0.83
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28
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
