CAS RN: 162151-09-9
5,5μ-Bis(3-dodecyl-2-thienyl)-2,2μ-bithiophene
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.20250701 | 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-069696
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 | Shanghai | Inquiry |
162151-09-9 / 2-(3-dodecylthiophen-2-yl)-5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophene
Basic Information
CAS
162151-09-9
Multi CAS
No
Molecular Formula
C40H58S4
Molecular Weight
667.200000
Exact Mass
666.342137
SMILES
CCCCCCCCCCCCC1=C(SC=C1)C2=CC=C(S2)C3=CC=C(S3)C4=C(C=CS4)CCCCCCCCCCCC
InChI
InChI=1S/C40H58S4/c1-3-5-7-9-11-13-15-17-19-21-23-33-29-31-41-39(33)37-27-25-35(43-37)36-26-28-38(44-36)40-34(30-32-42-40)24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3
InChIKey
DZUNDTRLGXGTGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
20
Fraction Csp3
0.6
Rotatable bonds
25
H-bond acceptors
4
Molar refractivity
205.35
TPSA
113.0000
LogP / Solubility
WLOGP
15.86
MLOGP
14.01
XLogP3
18.2
Consensus LogP
16.02
Log S (ESOL)
-12.65
Class (ESOL)
Insoluble
Log S (Ali)
-16.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.16
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)
4.47
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
4.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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