![CAS 1292303-62-8 4,8-di(5-carbaldehydethiophene-2-yl)benzo[1,2-c:4,5-c’]bis[1,2,5]thiadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1292303-62-8.gif)
CAS RN: 1292303-62-8
4,8-di(5-carbaldehydethiophene-2-yl)benzo[1,2-c:4,5-c’]bis[1,2,5]thiadiazole
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.20260621 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1292303-62-8
- Purity/Analytical Methods: >99.0%
1292303-62-8 / 5-[8-(5-formylthiophen-2-yl)-5lambda4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]thiophene-2-carbaldehyde
Basic Information
CAS
1292303-62-8
Multi CAS
No
Molecular Formula
C16H6N4O2S4
Molecular Weight
414.500000
Exact Mass
413.937360
SMILES
C1=C(SC(=C1)C2=C3C(=C(C4=NSN=C24)C5=CC=C(S5)C=O)N=S=N3)C=O
InChI
InChI=1S/C16H6N4O2S4/c21-5-7-1-3-9(23-7)11-13-15(19-25-17-13)12(16-14(11)18-26-20-16)10-4-2-8(6-22)24-10/h1-6H
InChIKey
AFQQOBHTMBMMKP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
19
Rotatable bonds
4
H-bond acceptors
9
Molar refractivity
106.36
TPSA
84.64
LogP / Solubility
WLOGP
5.5
MLOGP
4.87
XLogP3
5.1
Consensus LogP
5.16
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
IKK epsilon-IN-1
- CAS RN: 1292310-49-6
- Product Code: starshine_CAS1292310-49-6
- Purity/Analytical method: >99.0%
-
2-(tetrahydro-2H-pyran-4-yloxy)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- CAS RN: 1292317-54-4
- Product Code: SSC-036342
-
4-(2-chloropyriMidin-4-yl)aniline
- CAS RN: 1292318-07-0
- Product Code: starshine_CAS1292318-07-0
- Purity/Analytical method: >99.0%
-
(S)-3-MethylaMino-tetrahydrofuran hydrochloride
- CAS RN: 1292324-44-7
- Product Code: SSC-036343
-
(S)-3-MethylaMino-pyrrolidine-1-carboxylic acid benzyl ester
- CAS RN: 1292324-49-2
- Product Code: SSC-036344
-
3-(R)-N-METHYL-TETRAHYDROFURAN-3-YL-AMINE HYDROCHLORIDE
- CAS RN: 1292324-63-0
- Product Code: SSC-036346
