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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 12
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 1g | -- | 2 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 5g | -- | 2 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 10g | -- | 2 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 25g | -- | 2 In Stock | Shanghai | Inquiry |
| 25g | ≥95% | 2 In Stock | Shanghai | Inquiry |
25563-02-4 / 2-(2-phenoxyphenyl)acetic acid
Basic Information
CAS
25563-02-4
Multi CAS
No
Molecular Formula
C14H12O3
Molecular Weight
228.240000
Exact Mass
228.078644
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2CC(=O)O
InChI
InChI=1S/C14H12O3/c15-14(16)10-11-6-4-5-9-13(11)17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)
InChIKey
CWWCQGGNKDBSNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.3
TPSA
46.53
LogP / Solubility
WLOGP
3.11
MLOGP
2.74
XLogP3
2.1
Consensus LogP
2.65
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
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)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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