![CAS 950223-97-9 3-undecylthieno[3,2-b]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/950223-97-9.gif)
CAS RN: 950223-97-9
3-undecylthieno[3,2-b]thiophene
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251202 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250419 | 1g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251231 | 25g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20260317 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
- Product code: starshine_CAS950223-97-9
- Purity/Analytical Methods: >99.0%
950223-97-9 / 6-undecylthieno[3,2-b]thiophene
Basic Information
CAS
950223-97-9
Multi CAS
No
Molecular Formula
C17H26S2
Molecular Weight
294.500000
Exact Mass
294.147593
InChI
InChI=1S/C17H26S2/c1-2-3-4-5-6-7-8-9-10-11-15-14-19-16-12-13-18-17(15)16/h12-14H,2-11H2,1H3
InChIKey
BVCVLQZKDYRAHL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
8
Fraction Csp3
0.65
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
90.63
TPSA
56.5000
LogP / Solubility
WLOGP
7.04
MLOGP
6.2
XLogP3
8.4
Consensus LogP
7.21
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.61
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
0.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 950511-17-8 2-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/950511-17-8.gif)