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: 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 1g | -- | 1 In Stock | Beijing | Inquiry |
| 1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 5g | -- | 0 Out of Stock | Beijing | Inquiry |
| 5g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 10g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 10g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >97% | 0 Out of Stock | Shanghai | Inquiry |
6496-89-5 / 2-(2,4-dimethoxyphenyl)acetic acid
Basic Information
CAS
6496-89-5
Multi CAS
Yes
Molecular Formula
C10H12O4
Molecular Weight
196.200000
Exact Mass
196.073559
InChI
InChI=1S/C10H12O4/c1-13-8-4-3-7(5-10(11)12)9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKey
ZFXFMGARFHRTTO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.89
TPSA
55.76
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
1.9
Consensus LogP
1.47
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
acetic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4265-jpgcontextbwfzdgvyfhjvb3r8mzqzmdf8aw1hz2uvanblz3xomdyvagy2lzg5mzayode0ntu2ndyvrdqynjuuanbnfgu5ndhlm2u0zjfhzgiwnwjknzjjntuyzjexzdyyodq3ytm4ytvkmgiwotfinmmwn2i3mgvimjg0ndfknzm3ode.jpeg)
