CAS RN: 948552-24-7
4P-NPB , N,N’-di-(1-naphthalenyl)-N,N’-diphenyl-[1,1′:4′,1”:4
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260515 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS948552-24-7
- Purity/Analytical Methods: >99.0%
948552-24-7 / N-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
Basic Information
CAS
948552-24-7
Multi CAS
No
Molecular Formula
C56H40N2
Molecular Weight
740.900000
Exact Mass
740.319149
InChI
InChI=1S/C56H40N2/c1-3-17-49(18-4-1)57(55-23-11-15-47-13-7-9-21-53(47)55)51-37-33-45(34-38-51)43-29-25-41(26-30-43)42-27-31-44(32-28-42)46-35-39-52(40-36-46)58(50-19-5-2-6-20-50)56-24-12-16-48-14-8-10-22-54(48)56/h1-40H
InChIKey
CWIUXGVIFIAHGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
56
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
247.13
TPSA
6.48
LogP / Solubility
WLOGP
15.93
MLOGP
14.09
XLogP3
15.8
Consensus LogP
15.27
Log S (ESOL)
-14.59
Class (ESOL)
Insoluble
Log S (Ali)
-17.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
4.07
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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