CAS RN: 122-06-5
stilbamidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250728 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS122-06-5
- Purity/Analytical Methods: >99.0%
122-06-5 / 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
Basic Information
CAS
122-06-5
Multi CAS
No
Molecular Formula
C16H16N4
Molecular Weight
264.320000
Exact Mass
264.137497
SMILES
C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(=N)N)C(=N)N
InChI
InChI=1S/C16H16N4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H3,17,18)(H3,19,20)/b2-1+
InChIKey
MMURVNDSFNJHAM-OWOJBTEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
4
Molar refractivity
83.84
TPSA
99.74
LogP / Solubility
WLOGP
2.43
MLOGP
2.14
XLogP3
2.1
Consensus LogP
2.22
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501
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