CAS RN: 887623-87-2
5-CHLORO-3-(4-CHLOROPHENYL)-1,2,4-THIADIAZOLE
- Product code: SSC-200415
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 | Hong Kong | Inquiry |
887623-87-2 / 5-chloro-3-(4-chlorophenyl)-1,2,4-thiadiazole
Basic Information
CAS
887623-87-2
Multi CAS
No
Molecular Formula
C8H4CL2N2S
Molecular Weight
231.100000
Exact Mass
229.947225
InChI
InChI=1S/C8H4Cl2N2S/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H
InChIKey
MZLWEBFWFODGTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
55.37
TPSA
25.78
LogP / Solubility
WLOGP
3.51
MLOGP
3.09
XLogP3
3.2
Consensus LogP
3.27
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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