![CAS 1627606-00-1 2-Dodecyl-7-phenyl[1]benzothieno[3,2-b][1]benzothiophene [for organic electronics] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5910-jpgcontextbwfzdgvyfhjvb3r8mtu1mdl8aw1hz2uvanblz3xoyjivagm3lzkxmzyxotq1odq2mdyvrdu5mtauanbnfgezmwm5zdlknte3mzu4ndm3otg5otnhztm5zgfhzjzln2rkzta4ogfhyzq2owfinju2mgq0mzjlzgrkmmfjngq.jpeg)
CAS RN: 1627606-00-1
2-Dodecyl-7-phenyl[1]benzothieno[3,2-b][1]benzothiophene [for organic electronics]
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-070137
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 | Hong Kong | Inquiry |
1627606-00-1 / 7-dodecyl-2-phenyl-[1]benzothiolo[3,2-b][1]benzothiole
Basic Information
CAS
1627606-00-1
Multi CAS
No
Molecular Formula
C32H36S2
Molecular Weight
484.800000
Exact Mass
484.225844
SMILES
CCCCCCCCCCCCC1=CC2=C(C=C1)C3=C(S2)C4=C(S3)C=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H36S2/c1-2-3-4-5-6-7-8-9-10-12-15-24-18-20-27-29(22-24)33-32-28-21-19-26(23-30(28)34-31(27)32)25-16-13-11-14-17-25/h11,13-14,16-23H,2-10,12,15H2,1H3
InChIKey
VLVZRPQGJFYEOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
22
Fraction Csp3
0.38
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
155.7
TPSA
56.5000
LogP / Solubility
WLOGP
11.4
MLOGP
10.07
XLogP3
13.2
Consensus LogP
11.56
Log S (ESOL)
-9.71
Class (ESOL)
Insoluble
Log S (Ali)
-11.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.71
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)
2.42
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
3.5
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