![CAS 88742-94-3 5-(1-PHENYL-ETHYL)-[1,3,4]THIADIAZOL-2-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5351206.gif)
CAS RN: 88742-94-3
5-(1-PHENYL-ETHYL)-[1,3,4]THIADIAZOL-2-YLAMINE
- Product code: SSC-200292
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 | Beijing | Inquiry |
88742-94-3 / 5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine
Basic Information
CAS
88742-94-3
Multi CAS
No
Molecular Formula
C10H11N3S
Molecular Weight
205.280000
Exact Mass
205.067369
InChI
InChI=1S/C10H11N3S/c1-7(8-5-3-2-4-6-8)9-12-13-10(11)14-9/h2-7H,1H3,(H2,11,13)
InChIKey
KFYSQDMAJLTMTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.28
TPSA
51.8
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
2.3
Consensus LogP
2.19
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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