![CAS 763114-94-9 3-nonylthieno[3,2-b]thiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/763114-94-9.gif)
CAS RN: 763114-94-9
3-nonylthieno[3,2-b]thiophene
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.20250430 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS763114-94-9
- Purity/Analytical Methods: >99.0%
763114-94-9 / 6-nonylthieno[3,2-b]thiophene
Basic Information
CAS
763114-94-9
Multi CAS
No
Molecular Formula
C15H22S2
Molecular Weight
266.500000
Exact Mass
266.116293
InChI
InChI=1S/C15H22S2/c1-2-3-4-5-6-7-8-9-13-12-17-14-10-11-16-15(13)14/h10-12H,2-9H2,1H3
InChIKey
UVDAMDNLCREJQS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
8
Fraction Csp3
0.6
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
81.4
TPSA
56.5000
LogP / Solubility
WLOGP
6.26
MLOGP
5.51
XLogP3
7.3
Consensus LogP
6.36
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.54
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)
0.1
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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