![CAS 1923735-64-1 N-([1,1′-biphenyl]-3-yl)dibenzo[b,d]thiophen-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1923735-64-1.gif)
CAS RN: 1923735-64-1
N-([1,1′-biphenyl]-3-yl)dibenzo[b,d]thiophen-2-amine
- Product code: SSC-090021
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1923735-64-1 / N-(3-phenylphenyl)dibenzothiophen-2-amine
Basic Information
CAS
1923735-64-1
Multi CAS
No
Molecular Formula
C24H17NS
Molecular Weight
351.500000
Exact Mass
351.108171
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)NC3=CC4=C(C=C3)SC5=CC=CC=C54
InChI
InChI=1S/C24H17NS/c1-2-7-17(8-3-1)18-9-6-10-19(15-18)25-20-13-14-24-22(16-20)21-11-4-5-12-23(21)26-24/h1-16,25H
InChIKey
OZUWLGNPZCIQSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
114.49
TPSA
12.03
LogP / Solubility
WLOGP
7.47
MLOGP
6.59
XLogP3
7.4
Consensus LogP
7.15
Log S (ESOL)
-7.24
Class (ESOL)
Insoluble
Log S (Ali)
-7.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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