CAS RN: 70057-64-6
5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-amine
- Product code: SSC-179837
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
70057-64-6 / 5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-amine
Basic Information
CAS
70057-64-6
Multi CAS
No
Molecular Formula
C8H5CL2N3S
Molecular Weight
246.120000
Exact Mass
244.958124
InChI
InChI=1S/C8H5Cl2N3S/c9-5-1-4(2-6(10)3-5)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKey
GIBHWYSZYWWWRJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.78
TPSA
51.8
LogP / Solubility
WLOGP
3.09
MLOGP
2.73
XLogP3
2.9
Consensus LogP
2.91
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly 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)
-2.02
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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