CAS RN: 13412-07-2
3,5-Diphenyl-1-(p-tolyl)formazan
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.20250723 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTB0285
- Purity/Analytical Methods: >96.0%(HPLC)
13412-07-2 / N'-anilino-N-(4-methylphenyl)iminobenzenecarboximidamide
Basic Information
CAS
13412-07-2
Multi CAS
No
Molecular Formula
C20H18N4
Molecular Weight
314.400000
Exact Mass
314.153147
SMILES
CC1=CC=C(C=C1)N=NC(=NNC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H18N4/c1-16-12-14-19(15-13-16)22-24-20(17-8-4-2-5-9-17)23-21-18-10-6-3-7-11-18/h2-15,21H,1H3
InChIKey
TYLDKKLAWINVKP-UHFFFAOYSA-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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