![CAS 2230607-18-6 2,5-bis(4-(pyridin-4-yl)phenyl)thiazolo[5,4-d]thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2230607-18-6.gif)
CAS RN: 2230607-18-6
2,5-bis(4-(pyridin-4-yl)phenyl)thiazolo[5,4-d]thiazole
- Product code: SSC-108622
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 | Shanghai | Inquiry |
2230607-18-6 / 2,5-bis(4-pyridin-4-ylphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
Basic Information
CAS
2230607-18-6
Multi CAS
No
Molecular Formula
C26H16N4S2
Molecular Weight
448.600000
Exact Mass
448.081639
SMILES
C1=CC(=CC=C1C2=CC=NC=C2)C3=NC4=C(S3)N=C(S4)C5=CC=C(C=C5)C6=CC=NC=C6
InChI
InChI=1S/C26H16N4S2/c1-5-21(6-2-17(1)19-9-13-27-14-10-19)23-29-25-26(31-23)30-24(32-25)22-7-3-18(4-8-22)20-11-15-28-16-12-20/h1-16H
InChIKey
XJHGAVIBNMDWKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
32
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
132.63
TPSA
51.56
LogP / Solubility
WLOGP
7.21
MLOGP
6.38
XLogP3
6.5
Consensus LogP
6.7
Log S (ESOL)
-7.64
Class (ESOL)
Insoluble
Log S (Ali)
-8.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.04
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)
-0.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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