CAS RN: 125328-80-5
N-(4-BROMO-3-CHLORO-2-METHYL-PHENYL) ACETAMIDE
- Product code: SSC-030042
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 10g | -- | 1 In Stock | Beijing | Inquiry |
| 10g | >97% | 1 In Stock | Beijing | Inquiry |
| 25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 100g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | >97% | 0 Out of Stock | Shanghai | Inquiry |
125328-80-5 / N-(4-bromo-3-chloro-2-methylphenyl)acetamide
Basic Information
CAS
125328-80-5
Multi CAS
No
Molecular Formula
C9H9BrClNO
Molecular Weight
262.530000
Exact Mass
260.955600
SMILES
CC1=C(C=CC(=C1Cl)Br)NC(=O)C
InChI
InChI=1S/C9H9BrClNO/c1-5-8(12-6(2)13)4-3-7(10)9(5)11/h3-4H,1-2H3,(H,12,13)
InChIKey
KKYLGFXKQCOIOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.19
TPSA
29.1
LogP / Solubility
WLOGP
3.37
MLOGP
2.97
XLogP3
2.7
Consensus LogP
3.01
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93
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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