![CAS 792953-83-4 2-CHLORO-N-[5-CHLORO-2-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0463863.gif)
CAS RN: 792953-83-4
2-CHLORO-N-[5-CHLORO-2-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]ACETAMIDE
- Product code: SSC-188498
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
792953-83-4 / 2-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
Basic Information
CAS
792953-83-4
Multi CAS
No
Molecular Formula
C10H8CL2N4O
Molecular Weight
271.100000
Exact Mass
270.007516
InChI
InChI=1S/C10H8Cl2N4O/c11-4-10(17)15-8-3-7(12)1-2-9(8)16-6-13-5-14-16/h1-3,5-6H,4H2,(H,15,17)
InChIKey
VQBLRHXAMVYQPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.72
TPSA
59.81
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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