CAS RN: 443639-96-1
N-(4-anilinophenyl)-4-tert-butylbenzamide
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.20260113 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS443639-96-1
- Purity/Analytical Methods: >99.0%
443639-96-1 / N-(4-anilinophenyl)-4-tert-butylbenzamide
Basic Information
CAS
443639-96-1
Multi CAS
No
Molecular Formula
C23H24N2O
Molecular Weight
344.400000
Exact Mass
344.188863
InChI
InChI=1S/C23H24N2O/c1-23(2,3)18-11-9-17(10-12-18)22(26)25-21-15-13-20(14-16-21)24-19-7-5-4-6-8-19/h4-16,24H,1-3H3,(H,25,26)
InChIKey
NEPKMQDGCTXOPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
109.26
TPSA
41.13
LogP / Solubility
WLOGP
5.98
MLOGP
5.28
XLogP3
5.8
Consensus LogP
5.69
Log S (ESOL)
-5.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.34
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
No
Log Kp (skin permeation)
-0.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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