![CAS 1415929-77-9 1,3-bis(2-ethylhexyl)-5,7-di(thiophen-2-yl)-4H,8H-benzo[1,2-c:4,5-c ‘]dithiophene-4,8-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415929-77-9.gif)
CAS RN: 1415929-77-9
1,3-bis(2-ethylhexyl)-5,7-di(thiophen-2-yl)-4H,8H-benzo[1,2-c:4,5-c ‘]dithiophene-4,8-dione
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260223 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260109 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250520 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250924 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250627 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1415929-77-9
- Purity/Analytical Methods: >99.0%
1415929-77-9 / 5,7-bis(2-ethylhexyl)-1,3-dithiophen-2-ylthieno[3,4-f][2]benzothiole-4,8-dione
Basic Information
CAS
1415929-77-9
Multi CAS
No
Molecular Formula
C34H40O2S4
Molecular Weight
608.900000
Exact Mass
608.191115
SMILES
CCCCC(CC)CC1=C2C(=C(S1)CC(CC)CCCC)C(=O)C3=C(SC(=C3C2=O)C4=CC=CS4)C5=CC=CS5
InChI
InChI=1S/C34H40O2S4/c1-5-9-13-21(7-3)19-25-27-28(26(39-25)20-22(8-4)14-10-6-2)32(36)30-29(31(27)35)33(23-15-11-17-37-23)40-34(30)24-16-12-18-38-24/h11-12,15-18,21-22H,5-10,13-14,19-20H2,1-4H3
InChIKey
CHHDMAXVJHPGNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
20
Fraction Csp3
0.47
Rotatable bonds
14
H-bond acceptors
6
Molar refractivity
176.15
TPSA
34.14
LogP / Solubility
WLOGP
11.56
MLOGP
10.22
XLogP3
12.6
Consensus LogP
11.46
Log S (ESOL)
-10.34
Class (ESOL)
Insoluble
Log S (Ali)
-12.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.89
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.77
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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