CAS RN: 338469-45-7
Thiophene, 2,2′-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260607 | 100mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250314 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
| Batchno.20260415 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20251113 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20250415 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS338469-45-7
- Purity/Analytical Methods: >99.0%
338469-45-7 / 2-(9,9-dioctyl-7-thiophen-2-ylfluoren-2-yl)thiophene
Basic Information
CAS
338469-45-7
Multi CAS
No
Molecular Formula
C37H46S2
Molecular Weight
554.900000
Exact Mass
554.304094
InChI
InChI=1S/C37H46S2/c1-3-5-7-9-11-13-23-37(24-14-12-10-8-6-4-2)33-27-29(35-17-15-25-38-35)19-21-31(33)32-22-20-30(28-34(32)37)36-18-16-26-39-36/h15-22,25-28H,3-14,23-24H2,1-2H3
InChIKey
HGAWLLXSUXWDFN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
22
Fraction Csp3
0.46
Rotatable bonds
16
H-bond acceptors
2
Molar refractivity
175.27
TPSA
56.5000
LogP / Solubility
WLOGP
12.91
MLOGP
11.4
XLogP3
14.7
Consensus LogP
13
Log S (ESOL)
-10.78
Class (ESOL)
Insoluble
Log S (Ali)
-13.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.9
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.06
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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