CAS RN: 6725-44-6
Methyl 3,4-Dichlorophenylacetate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250320 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | 1 business days | Inquiry |
- Product code: SSC-176937
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: 100g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 100g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
6725-44-6 / methyl 2-(3,4-dichlorophenyl)acetate
Basic Information
CAS
6725-44-6
Multi CAS
No
Molecular Formula
C9H8CL2O2
Molecular Weight
219.060000
Exact Mass
217.990135
InChI
InChI=1S/C9H8Cl2O2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
InChIKey
FWVOAIHAIWHHDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.18
TPSA
26.3
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
3
Consensus LogP
2.7
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly 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)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
