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, 10g, 5g, 25g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 2
- 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 | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
22007-68-7 / 2-methylpropanimidamide;hydrochloride
Basic Information
CAS
22007-68-7
Multi CAS
No
Molecular Formula
C4H11ClN2
Molecular Weight
122.600000
Exact Mass
122.061076
SMILES
CC(C)C(=N)N.Cl
InChI
InChI=1S/C4H10N2.ClH/c1-3(2)4(5)6;/h3H,1-2H3,(H3,5,6);1H
InChIKey
VWXLCWNPSOUPPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
34
TPSA
49.87
LogP / Solubility
WLOGP
1
MLOGP
0.87
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
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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