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, 100g
- Available purity: ≥98%
- Inventory rows with stock: 5
- 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 | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 1 In Stock | Shanghai | Inquiry |
7500-53-0 / (2-acetyloxyphenyl) acetate
Basic Information
CAS
7500-53-0
Multi CAS
Yes
Molecular Formula
C10H10O4
Molecular Weight
194.180000
Exact Mass
194.057909
InChI
InChI=1S/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3
InChIKey
FBSAITBEAPNWJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.06
TPSA
52.6
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
1.2
Consensus LogP
1.36
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
acetic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4265-jpgcontextbwfzdgvyfhjvb3r8mzqzmdf8aw1hz2uvanblz3xomdyvagy2lzg5mzayode0ntu2ndyvrdqynjuuanbnfgu5ndhlm2u0zjfhzgiwnwjknzjjntuyzjexzdyyodq3ytm4ytvkmgiwotfinmmwn2i3mgvimjg0ndfknzm3ode.jpeg)
