CAS RN: 160072-56-0
4-Phenyl-1h-imidazol-2-amine sulfate (2:1)
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.20250911 | 1g / 5g / 10g / 50g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS160072-56-0
- Purity/Analytical Methods: >99.0%
160072-56-0 / bis(5-phenyl-1H-imidazol-2-amine);sulfuric acid
Basic Information
CAS
160072-56-0
Multi CAS
No
Molecular Formula
C18H20N6O4S
Molecular Weight
416.500000
Exact Mass
416.126674
SMILES
C1=CC=C(C=C1)C2=CN=C(N2)N.C1=CC=C(C=C1)C2=CN=C(N2)N.OS(=O)(=O)O
InChI
InChI=1S/2C9H9N3.H2O4S/c2*10-9-11-6-8(12-9)7-4-2-1-3-5-7;1-5(2,3)4/h2*1-6H,(H3,10,11,12);(H2,1,2,3,4)
InChIKey
QUOBUFFJHIDCPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
22
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
6
Molar refractivity
111.05
TPSA
184
LogP / Solubility
WLOGP
2.66
MLOGP
2.37
XLogP3
2.66
Consensus LogP
2.56
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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