CAS RN: 18657-57-3
1,2-Bis(3-indenyl)ethane
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.20250518 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-086682
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 |
18657-57-3 / 3-[2-(3H-inden-1-yl)ethyl]-1H-indene
Basic Information
CAS
18657-57-3
Multi CAS
No
Molecular Formula
C20H18
Molecular Weight
258.400000
Exact Mass
258.140851
SMILES
C1C=C(C2=CC=CC=C21)CCC3=CCC4=CC=CC=C43
InChI
InChI=1S/C20H18/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h1-8,11-12H,9-10,13-14H2
InChIKey
CQAQBIQKEFJNRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
3
Molar refractivity
85.48
TPSA
0.0000
LogP / Solubility
WLOGP
5.05
MLOGP
4.45
XLogP3
4.8
Consensus LogP
4.77
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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