CAS RN: 71274-65-2
3,5-Diphenyl-1-(m-tolyl)formazan
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.20260501 | 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTB0283
- Purity/Analytical Methods: >98.0%(HPLC)
71274-65-2 / N'-(3-methylanilino)-N-phenyliminobenzenecarboximidamide
Basic Information
CAS
71274-65-2
Multi CAS
Yes
Molecular Formula
C20H18N4
Molecular Weight
314.400000
Exact Mass
314.153147
InChI
InChI=1S/C20H18N4/c1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21-18-12-6-3-7-13-18/h2-15,22H,1H3/b23-21?,24-20-
InChIKey
TXSUIVPRHHQNTM-UKMVXUQGSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
98.74
TPSA
49.11
LogP / Solubility
WLOGP
5.55
MLOGP
4.9
XLogP3
6.1
Consensus LogP
5.52
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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