![CAS 84333-09-5 5-(2,4-DICHLORO-PHENOXYMETHYL)-[1,3,4]THIADIAZOL-2-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1375116.gif)
CAS RN: 84333-09-5
5-(2,4-DICHLORO-PHENOXYMETHYL)-[1,3,4]THIADIAZOL-2-YLAMINE
- Product code: SSC-191854
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 | Shenzhen | Inquiry |
84333-09-5 / 5-[(2,4-dichlorophenoxy)methyl]-1,3,4-thiadiazol-2-amine
Basic Information
CAS
84333-09-5
Multi CAS
No
Molecular Formula
C9H7CL2N3OS
Molecular Weight
276.140000
Exact Mass
274.968688
InChI
InChI=1S/C9H7Cl2N3OS/c10-5-1-2-7(6(11)3-5)15-4-8-13-14-9(12)16-8/h1-3H,4H2,(H2,12,14)
InChIKey
GTSLKQLOFRYRTJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.12
TPSA
61.03
LogP / Solubility
WLOGP
3.01
MLOGP
2.65
XLogP3
2.8
Consensus LogP
2.82
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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