CAS RN: 1719-72-8
3,5-Diphenyl-1-(1-naphthyl)formazan
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260527 | 100mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: ICTB0281
- Purity/Analytical Methods: >97.0%(HPLC)
1719-72-8 / N'-anilino-N-naphthalen-1-yliminobenzenecarboximidamide
Basic Information
CAS
1719-72-8
Multi CAS
No
Molecular Formula
C23H18N4
Molecular Weight
350.400000
Exact Mass
350.153147
SMILES
C1=CC=C(C=C1)C(=NNC2=CC=CC=C2)N=NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H18N4/c1-3-11-19(12-4-1)23(26-24-20-14-5-2-6-15-20)27-25-22-17-9-13-18-10-7-8-16-21(18)22/h1-17,24H
InChIKey
AXEBHHNKLXVOET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
111.51
TPSA
49.11
LogP / Solubility
WLOGP
6.4
MLOGP
5.65
XLogP3
7
Consensus LogP
6.35
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.73
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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