![CAS 190974-21-1 9,10-Bis[N-(p-tolyl)anilino]anthracene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5149-jpgcontextbwfzdgvyfhjvb3r8ndqymzz8aw1hz2uvanblz3xomzuvagrjlzg5mjkxntu2nzgymzgvqjuxndkuanbnfge2mznjnjvhzdm4ntlhy2i5odg5mdgxzdzmntq2mtnim2eyntg0mjc2ytzlmgy0nwy5mthimdm1nwzhmzy1mmy.jpeg)
CAS RN: 190974-21-1
9,10-Bis[N-(p-tolyl)anilino]anthracene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250106 | 200mg / 1g | Confirm by inquiry | Shandong | Inquiry |
- Product code: SSC-089515
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
190974-21-1 / 9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
Basic Information
CAS
190974-21-1
Multi CAS
No
Molecular Formula
C40H32N2
Molecular Weight
540.700000
Exact Mass
540.256549
SMILES
CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)N(C6=CC=CC=C6)C7=CC=C(C=C7)C
InChI
InChI=1S/C40H32N2/c1-29-21-25-33(26-22-29)41(31-13-5-3-6-14-31)39-35-17-9-11-19-37(35)40(38-20-12-10-18-36(38)39)42(32-15-7-4-8-16-32)34-27-23-30(2)24-28-34/h3-28H,1-2H3
InChIKey
HTJPPQKJCPTAED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
38
Fraction Csp3
0.05
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
180.29
TPSA
6.48
LogP / Solubility
WLOGP
11.55
MLOGP
10.2
XLogP3
11.6
Consensus LogP
11.12
Log S (ESOL)
-10.74
Class (ESOL)
Insoluble
Log S (Ali)
-12.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.48
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)
2.18
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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