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, 0.25g, 1g, 5g, 25g
- 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% | 2 In Stock | Beijing | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 1g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 5g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
88353-04-2 / 12-oxo-12-phenylmethoxydodecanoic acid
Basic Information
CAS
88353-04-2
Multi CAS
Yes
Molecular Formula
C19H28O4
Molecular Weight
320.400000
Exact Mass
320.198759
InChI
InChI=1S/C19H28O4/c20-18(21)14-10-5-3-1-2-4-6-11-15-19(22)23-16-17-12-8-7-9-13-17/h7-9,12-13H,1-6,10-11,14-16H2,(H,20,21)
InChIKey
ZDTVBXVYNIHVNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
13
H-bond acceptors
3
H-bond donors
1
Molar refractivity
90.04
TPSA
63.6
LogP / Solubility
WLOGP
4.72
MLOGP
4.16
XLogP3
5
Consensus LogP
4.63
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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