CAS RN: 2105938-35-8
(2Z,6Z)-N′2,N′6-DICYANOPYRIDINE-2,6-BIS(CARBOXIMIDAMIDE)
- Product code: SSC-100331
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 4 In Stock | Beijing | Inquiry |
| 5g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 1 In Stock | Hong Kong | Inquiry |
2105938-35-8 / 2-N',6-N'-dicyanopyridine-2,6-dicarboximidamide
Basic Information
CAS
2105938-35-8
Multi CAS
No
Molecular Formula
C9H7N7
Molecular Weight
213.200000
Exact Mass
213.076293
SMILES
C1=CC(=NC(=C1)C(=NC#N)N)C(=NC#N)N
InChI
InChI=1S/C9H7N7/c10-4-14-8(12)6-2-1-3-7(16-6)9(13)15-5-11/h1-3H,(H2,12,14)(H2,13,15)
InChIKey
NFCPGRIKBAMXHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
56.91
TPSA
137.23
LogP / Solubility
WLOGP
-0.55
MLOGP
-0.48
XLogP3
-0.1
Consensus LogP
-0.38
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very 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)
-4.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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