![CAS 2364456-55-1 5′-(4-carbamimidoylphenyl)-[1,1′:3′,1”-terphenyl]-4,4”-bis(carboximidamide),hydrochloride(1:3) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2364456-55-1.gif)
CAS RN: 2364456-55-1
5′-(4-carbamimidoylphenyl)-[1,1′:3′,1”-terphenyl]-4,4”-bis(carboximidamide),hydrochloride(1:3)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260123 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2364456-55-1
- Purity/Analytical Methods: >99.0%
2364456-55-1 / 4-[3,5-bis(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide;trihydrochloride
Basic Information
CAS
2364456-55-1
Multi CAS
No
Molecular Formula
C27H27Cl3N6
Molecular Weight
541.900000
Exact Mass
540.136278
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)C(=N)N)C(=N)N.Cl.Cl.Cl
InChI
InChI=1S/C27H24N6.3ClH/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33;;;/h1-15H,(H3,28,29)(H3,30,31)(H3,32,33);3*1H
InChIKey
MREIXXFSZATAGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
6
Molar refractivity
157.54
TPSA
149.61
LogP / Solubility
WLOGP
5.81
MLOGP
5.15
XLogP3
5.81
Consensus LogP
5.59
Log S (ESOL)
-6.95
Class (ESOL)
Insoluble
Log S (Ali)
-8.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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