CAS RN: 53242-76-5
2-((4-Chlorophenyl)acetyl)benzoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250410 | 5g / 10g / 25g / 100g / 500g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-160456
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: 10g, 25g, 1g, 5g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 10g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 5g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 1 In Stock | Beijing | Inquiry |
53242-76-5 / 2-[2-(4-chlorophenyl)acetyl]benzoic acid
Basic Information
CAS
53242-76-5
Multi CAS
Yes
Molecular Formula
C15H11CLO3
Molecular Weight
274.700000
Exact Mass
274.039672
InChI
InChI=1S/C15H11ClO3/c16-11-7-5-10(6-8-11)9-14(17)12-3-1-2-4-13(12)15(18)19/h1-8H,9H2,(H,18,19)
InChIKey
BDSINYHJZLINDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.89
TPSA
54.37
LogP / Solubility
WLOGP
3.46
MLOGP
3.06
XLogP3
3
Consensus LogP
3.17
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94
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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