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: 25g, 100g, 500g, 10g, 5g, 1000g, discontinued
- 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 |
|---|---|---|---|---|
| 25g | -- | 2 In Stock | Shanghai | Inquiry |
| 25g | >97% | 2 In Stock | Shanghai | Inquiry |
| 100g | -- | 2 In Stock | Beijing | Inquiry |
| 100g | >97% | 2 In Stock | Beijing | Inquiry |
| 500g | -- | 2 In Stock | Beijing | Inquiry |
| 500g | >97% | 2 In Stock | Shanghai | Inquiry |
| 10g | -- | 1 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 5g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 5g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Beijing | Inquiry |
| discontinued | -- | 0 Out of Stock | Hong Kong | Inquiry |
29270-30-2 / 2-bromo-2-(2-chlorophenyl)acetic acid
Basic Information
CAS
29270-30-2
Multi CAS
Yes
Molecular Formula
C8H6BRCLO2
Molecular Weight
249.490000
Exact Mass
247.923970
InChI
InChI=1S/C8H6BrClO2/c9-7(8(11)12)5-3-1-2-4-6(5)10/h1-4,7H,(H,11,12)
InChIKey
XHAPROULWZYBGA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.76
TPSA
37.3
LogP / Solubility
WLOGP
2.86
MLOGP
2.52
XLogP3
2.9
Consensus LogP
2.76
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
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)
-2.21
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
