![CAS 803727-09-5 Tris[4-(5-phenylthiophen-2-yl)phenyl]amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3328-jpgcontextbwfzdgvyfhjvb3r8mzi3njv8aw1hz2uvanblz3xommuvagyzlzg5mzi3mdm5otm4odyvvdmzmjguanbnfgrlnzk2ythlztvknmu0ywjkmmjmzda0odq2nti3otu1mdjlmwm2mjg1ngu0ogqym2m2ztm2mju4otdmyzuzodm.jpeg)
CAS RN: 803727-09-5
Tris[4-(5-phenylthiophen-2-yl)phenyl]amine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-189253
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
803727-09-5 / 4-(5-phenylthiophen-2-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
Basic Information
CAS
803727-09-5
Multi CAS
No
Molecular Formula
C48H33NS3
Molecular Weight
720.000000
Exact Mass
719.177514
InChI
InChI=1S/C48H33NS3/c1-4-10-34(11-5-1)43-28-31-46(50-43)37-16-22-40(23-17-37)49(41-24-18-38(19-25-41)47-32-29-44(51-47)35-12-6-2-7-13-35)42-26-20-39(21-27-42)48-33-30-45(52-48)36-14-8-3-9-15-36/h1-33H
InChIKey
UJZRJDHTDMTGAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
51
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
227.37
TPSA
3.24
LogP / Solubility
WLOGP
15.34
MLOGP
13.56
XLogP3
14.2
Consensus LogP
14.37
Log S (ESOL)
-14.1
Class (ESOL)
Insoluble
Log S (Ali)
-16.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.15
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)
3.78
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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