CAS RN: 1345699-92-4
3-(2-hexyldecyl)-Thiophene
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260207 | 10g | Out of stock | Inquiry | |
| Batchno.20260513 | 1g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20251204 | 250mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20250909 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20260615 | 5g | In stock | Shanghai, Chengdu | Inquiry |
- Product code: SSC-042411
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1345699-92-4 / 3-(2-hexyldecyl)thiophene
Basic Information
CAS
1345699-92-4
Multi CAS
No
Molecular Formula
C20H36S
Molecular Weight
308.600000
Exact Mass
308.253772
SMILES
CCCCCCCCC(CCCCCC)CC1=CSC=C1
InChI
InChI=1S/C20H36S/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)17-20-15-16-21-18-20/h15-16,18-19H,3-14,17H2,1-2H3
InChIKey
HDFZTBJTNXTFAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
14
H-bond acceptors
1
Molar refractivity
98.27
TPSA
28.2000
LogP / Solubility
WLOGP
7.63
MLOGP
6.73
XLogP3
9.7
Consensus LogP
8.02
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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