CAS RN: 42518-06-9
4-AMIDINOPYRIDINIUM CHLORIDE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: SSC-150814
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: 25g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
42518-06-9 / [amino(pyridin-4-yl)methylidene]azanium chloride
Basic Information
CAS
42518-06-9
Multi CAS
Yes
Molecular Formula
C6H8CLN3
Molecular Weight
157.600000
Exact Mass
157.040675
InChI
InChI=1S/C6H7N3.ClH/c7-6(8)5-1-3-9-4-2-5;/h1-4H,(H3,7,8);1H
InChIKey
IONKMFGAXKCLMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
34.46
TPSA
64.5
LogP / Solubility
WLOGP
-4.45
MLOGP
-3.92
XLogP3
-4.45
Consensus LogP
-4.27
Log S (ESOL)
1.61
Class (ESOL)
Highly soluble
Log S (Ali)
2.36
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.89
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)
-6.84
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
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