![CAS 2091868-86-7 Benzenamine, 4,4′-(1,1-dioxidobenzo[b]thiophene-2,3-diyl)bis[N,N-diphenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2091868-86-7.png)
CAS RN: 2091868-86-7
Benzenamine, 4,4′-(1,1-dioxidobenzo[b]thiophene-2,3-diyl)bis[N,N-diphenyl-
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.20260531 | 1g / 5g / 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-098850
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 | Shenzhen | Inquiry |
2091868-86-7 / 4-[1,1-dioxo-2-[4-(N-phenylanilino)phenyl]-1-benzothiophen-3-yl]-N,N-diphenylaniline
Basic Information
CAS
2091868-86-7
Multi CAS
No
Molecular Formula
C44H32N2O2S
Molecular Weight
652.800000
Exact Mass
652.218449
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=C(S(=O)(=O)C5=CC=CC=C54)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C44H32N2O2S/c47-49(48)42-24-14-13-23-41(42)43(33-25-29-39(30-26-33)45(35-15-5-1-6-16-35)36-17-7-2-8-18-36)44(49)34-27-31-40(32-28-34)46(37-19-9-3-10-20-37)38-21-11-4-12-22-38/h1-32H
InChIKey
PMNBQZRRUOTQBL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Aromatic heavy atom count
42
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
201.79
TPSA
40.62
LogP / Solubility
WLOGP
11.33
MLOGP
10.02
XLogP3
10.6
Consensus LogP
10.65
Log S (ESOL)
-11.13
Class (ESOL)
Insoluble
Log S (Ali)
-13.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.27
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)
1.34
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
6.5
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