CAS RN: 444325-43-3
2-CHLORO-N-(2-CHLORO-4,6-DIMETHYLPHENYL)ACETAMIDE
- Product code: SSC-152450
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 | Shanghai | Inquiry |
444325-43-3 / 2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
Basic Information
CAS
444325-43-3
Multi CAS
No
Molecular Formula
C10H11CL2NO
Molecular Weight
232.100000
Exact Mass
231.021769
InChI
InChI=1S/C10H11Cl2NO/c1-6-3-7(2)10(8(12)4-6)13-9(14)5-11/h3-4H,5H2,1-2H3,(H,13,14)
InChIKey
HGGIYEFFQDKDMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.28
TPSA
29.1
LogP / Solubility
WLOGP
3.13
MLOGP
2.76
XLogP3
2
Consensus LogP
2.63
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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