![CAS 111128-12-2 2-[4-(Bromomethyl)phenyl]propionic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2101-jpgcontextbwfzdgvyfhjvb3r8mjgzmjv8aw1hz2uvanblz3xomjgvagfmlzg5mjg3njk5mzmzndivqjixmdeuanbnfde3zdfhmtdlmdhmnduzmgnjnjkxnmqwywqyyziyotg0yjy0mzeymjgzzmi2mtg3ntmyotq3ntm1mjnjotm2odc.jpeg)
CAS RN: 111128-12-2
2-[4-(Bromomethyl)phenyl]propionic Acid
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260508 | 5g / 25g / 100g / 500g / 2.5kg / 10kg | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251022 | 25g / 100g / 500g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-011997
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: 5g, 10g, 25g, 100g, 500g
- Available purity: ≥97%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 500g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
111128-12-2 / 2-[4-(bromomethyl)phenyl]propanoic acid
2-[4-(Bromomethyl)phenyl]propionic Acid | 2-(4-(Bromomethyl)phenyl)propionic Acid | RefChem:456428
Basic Information
CAS
111128-12-2
Multi CAS
Yes
Molecular Formula
C10H11BrO2
Molecular Weight
243.100000
Exact Mass
241.994240
SMILES
CC(C1=CC=C(C=C1)CBr)C(=O)O
InChI
InChI=1S/C10H11BrO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
InChIKey
QQXBRVQJMKBAOZ-UHFFFAOYSA-N
Synonyms
2-[4-(Bromomethyl)phenyl]propionic Acid
2-(4-(Bromomethyl)phenyl)propionic Acid
RefChem:456428
627-148-4
2-(4-(Bromomethyl)phenyl)propanoic acid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.12
TPSA
37.3
LogP / Solubility
WLOGP
2.77
MLOGP
2.44
XLogP3
2.5
Consensus LogP
2.57
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-2.24
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
2
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
