CAS RN: 66553-02-4
Dimethyl 4,4’-Oxalyldibenzoate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260307 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-176252
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: 5g, 0.1g, 0.25g, 1g, 10g
- Available purity: >95%
- Inventory rows with stock: 10
- 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 |
|---|---|---|---|---|
| 5g | -- | 3 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 1 In Stock | Beijing | Inquiry |
| 10g | -- | 1 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 1 In Stock | Beijing | Inquiry |
66553-02-4 / methyl 4-[2-(4-methoxycarbonylphenyl)-2-oxoacetyl]benzoate
Basic Information
CAS
66553-02-4
Multi CAS
No
Molecular Formula
C18H14O6
Molecular Weight
326.300000
Exact Mass
326.079038
InChI
InChI=1S/C18H14O6/c1-23-17(21)13-7-3-11(4-8-13)15(19)16(20)12-5-9-14(10-6-12)18(22)24-2/h3-10H,1-2H3
InChIKey
PCLYIKBMKKHYMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
84.22
TPSA
86.74
LogP / Solubility
WLOGP
2.33
MLOGP
2.06
XLogP3
3.2
Consensus LogP
2.53
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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