CAS RN: 78301-71-0
2-(4-Phenyl-1,2,3-thiadiazol-5-yl)isoindoline-1,3-dione
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.20251021 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-187749
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
78301-71-0 / 2-(4-phenylthiadiazol-5-yl)isoindole-1,3-dione
Basic Information
CAS
78301-71-0
Multi CAS
Yes
Molecular Formula
C16H9N3O2S
Molecular Weight
307.300000
Exact Mass
307.041548
InChI
InChI=1S/C16H9N3O2S/c20-14-11-8-4-5-9-12(11)15(21)19(14)16-13(17-18-22-16)10-6-2-1-3-7-10/h1-9H
InChIKey
XFDPUJFDNRAWJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
82.93
TPSA
63.16
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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