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 | Shanghai | Inquiry |
4405-08-7 / 2-(4,6-diamino-1,3,5-triazin-2-yl)guanidine
Basic Information
CAS
4405-08-7
Multi CAS
No
Molecular Formula
C4H8N8
Molecular Weight
168.160000
Exact Mass
168.087192
InChI
InChI=1S/C4H8N8/c5-1(6)9-4-11-2(7)10-3(8)12-4/h(H8,5,6,7,8,9,10,11,12)
InChIKey
QLVPICNVQBBOQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
4
Molar refractivity
44.12
TPSA
155.11
LogP / Solubility
WLOGP
-2.06
MLOGP
-1.82
XLogP3
-1.9
Consensus LogP
-1.93
Log S (ESOL)
0.11
Class (ESOL)
Highly soluble
Log S (Ali)
0.55
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.84
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-5.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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(1Z)-2-(1H-BENZIMIDAZOL-2-YL)-N’-HYDROXYETHANIMIDAMIDE
- CAS RN: 4404-32-4
- Product Code: SSC-152107
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