![CAS 1295502-20-3 5,5-Bis(3,7-dimethyloctyl)-5H-dithieno[3,2-b:2′,3′-d]pyran molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1295502-20-3.gif)
CAS RN: 1295502-20-3
5,5-Bis(3,7-dimethyloctyl)-5H-dithieno[3,2-b:2′,3′-d]pyran
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.20250213 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-036512
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 | Shanghai | Inquiry |
1295502-20-3 / 8,8-bis(3,7-dimethyloctyl)-7-oxa-3,12-dithiatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,10-tetraene
Basic Information
CAS
1295502-20-3
Multi CAS
No
Molecular Formula
C29H46OS2
Molecular Weight
474.800000
Exact Mass
474.299008
SMILES
CC(C)CCCC(C)CCC1(C2=C(C3=C(O1)C=CS3)SC=C2)CCC(C)CCCC(C)C
InChI
InChI=1S/C29H46OS2/c1-21(2)9-7-11-23(5)13-17-29(18-14-24(6)12-8-10-22(3)4)25-15-19-31-27(25)28-26(30-29)16-20-32-28/h15-16,19-24H,7-14,17-18H2,1-6H3
InChIKey
HSXYSEYRQBBYQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
10
Fraction Csp3
0.72
Rotatable bonds
14
H-bond acceptors
3
Molar refractivity
144.11
TPSA
9.23
LogP / Solubility
WLOGP
10.55
MLOGP
9.32
XLogP3
11.3
Consensus LogP
10.39
Log S (ESOL)
-8.74
Class (ESOL)
Insoluble
Log S (Ali)
-11.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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