![CAS 1256447-82-1 4,7-Bis(5-bromo-4-hexylthiophen-2-yl)benzo[c][1,2,5]selenadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256447-82-1.gif)
CAS RN: 1256447-82-1
4,7-Bis(5-bromo-4-hexylthiophen-2-yl)benzo[c][1,2,5]selenadiazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251108 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1256447-82-1
- Purity/Analytical Methods: >99.0%
1256447-82-1 / 4,7-bis(5-bromo-4-hexylthiophen-2-yl)-2,1,3-benzoselenadiazole
Basic Information
CAS
1256447-82-1
Multi CAS
No
Molecular Formula
C26H30Br2N2S2Se
Molecular Weight
673.400000
Exact Mass
673.936190
SMILES
CCCCCCC1=C(SC(=C1)C2=CC=C(C3=N[Se]N=C23)C4=CC(=C(S4)Br)CCCCCC)Br
InChI
InChI=1S/C26H30Br2N2S2Se/c1-3-5-7-9-11-17-15-21(31-25(17)27)19-13-14-20(24-23(19)29-33-30-24)22-16-18(26(28)32-22)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKey
UVDUSQTVVXNJGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
19
Fraction Csp3
0.46
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
154.2
TPSA
25.78
LogP / Solubility
WLOGP
9.91
MLOGP
8.78
XLogP3
9.91
Consensus LogP
9.53
Log S (ESOL)
-9.9
Class (ESOL)
Insoluble
Log S (Ali)
-12.24
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
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.21
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 1256478-41-7 6-CHLORO-2-(CHLOROMETHYL)THIAZOLO[5,4-B]PYRIDINE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
6-CHLORO-2-(CHLOROMETHYL)THIAZOLO[5,4-B]PYRIDINE
- CAS RN: 1256478-41-7
- Product Code: SSC-030509
-
-
-
N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester
- CAS RN: 1256490-31-9
- Product Code: starshine_CAS1256490-31-9
- Purity/Analytical method: >99.0%
-
PSI-6206 13CD3
- CAS RN: 1256490-42-2
- Product Code: starshine_CAS1256490-42-2
- Purity/Analytical method: >99.0%
-
L-Alanine, N-[(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-, 1-Methylethyl ester
- CAS RN: 1256490-52-4
- Product Code: SSC-030522
![CAS 1256478-41-7 6-CHLORO-2-(CHLOROMETHYL)THIAZOLO[5,4-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22646901.gif)
![CAS 1256490-31-9 N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256490-31-9.gif)
![CAS 1256490-52-4 L-Alanine, N-[(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-, 1-Methylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256490-52-4.gif)