![CAS 872466-50-7 (E,E)-1,4-Bis[4-[bis(4-methoxyphenyl)amino]styryl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5672-jpgcontextbwfzdgvyfhjvb3r8mjk5mzd8aw1hz2uvanblz3xomjqvadnilzg5mjkymtizmdezndivqju2nziuanbnfddhnzrjzdixzmjkyjfkytbjowizyjjmzdexztu2n2vjmta5n2uymgvimzrizmvjzwqzodm3ngy5ntniztjizjk.jpeg)
CAS RN: 872466-50-7
(E,E)-1,4-Bis[4-[bis(4-methoxyphenyl)amino]styryl]benzene
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock2 grade groups
- Product code: SSC-197012
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
872466-50-7 / 4-[(E)-2-[4-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
Basic Information
CAS
872466-50-7
Multi CAS
Yes
Molecular Formula
C50H44N2O4
Molecular Weight
736.900000
Exact Mass
736.330108
InChI
InChI=1S/C50H44N2O4/c1-53-47-29-21-43(22-30-47)51(44-23-31-48(54-2)32-24-44)41-17-13-39(14-18-41)11-9-37-5-7-38(8-6-37)10-12-40-15-19-42(20-16-40)52(45-25-33-49(55-3)34-26-45)46-27-35-50(56-4)36-28-46/h5-36H,1-4H3/b11-9+,12-10+
InChIKey
KKWNEIFCIBJISP-WGDLNXRISA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
42
Fraction Csp3
0.08
Rotatable bonds
14
H-bond acceptors
6
Molar refractivity
232.76
TPSA
43.4
LogP / Solubility
WLOGP
13
MLOGP
11.51
XLogP3
12.8
Consensus LogP
12.44
Log S (ESOL)
-12.23
Class (ESOL)
Insoluble
Log S (Ali)
-14.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.92
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)
2.02
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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