CAS RN: 6340-79-0
3-(4-Bromobenzoyl)propionic Acid
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-173063
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, 5g, 25g, 100g, 500g
- Available purity: >97%
- Inventory rows with stock: 4
- 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% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 3 In Stock | Shanghai | Inquiry |
| 100g | >97% | 2 In Stock | Shanghai | Inquiry |
| 500g | >97% | 0 Out of Stock | Beijing | Inquiry |
6340-79-0 / 4-(4-bromophenyl)-4-oxobutanoic acid
Basic Information
CAS
6340-79-0
Multi CAS
Yes
Molecular Formula
C10H9BRO3
Molecular Weight
257.080000
Exact Mass
255.973510
InChI
InChI=1S/C10H9BrO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChIKey
ZODFRCZNTXLDDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.34
TPSA
54.37
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
2.1
Consensus LogP
2.27
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
![CAS 111128-12-2 2-[4-(Bromomethyl)phenyl]propionic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2101-jpgcontextbwfzdgvyfhjvb3r8mjgzmjv8aw1hz2uvanblz3xomjgvagfmlzg5mjg3njk5mzmzndivqjixmdeuanbnfde3zdfhmtdlmdhmnduzmgnjnjkxnmqwywqyyziyotg0yjy0mzeymjgzzmi2mtg3ntmyotq3ntm1mjnjotm2odc.jpeg)
