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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
150223-49-7 / pyridine-2,6-dicarboximidamide
Basic Information
CAS
150223-49-7
Multi CAS
No
Molecular Formula
C7H9N5
Molecular Weight
163.180000
Exact Mass
163.085795
SMILES
C1=CC(=NC(=C1)C(=N)N)C(=N)N
InChI
InChI=1S/C7H9N5/c8-6(9)4-2-1-3-5(12-4)7(10)11/h1-3H,(H3,8,9)(H3,10,11)
InChIKey
ODJWYRZWPHQSDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
4
Molar refractivity
46.27
TPSA
112.63
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.31
XLogP3
-0.6
Consensus LogP
-0.42
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
Class (SILICOS-IT)
Very 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)
-3.96
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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