CAS RN: 31618-90-3
Diethyl (p-Toluenesulfonyloxymethyl)phosphonate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-137047
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, 100g, 500g, 1000g, 25g
- 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 |
|---|---|---|---|---|
| 10g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 100g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 500g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 1000g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 3 In Stock | Beijing | Inquiry |
31618-90-3 / diethoxyphosphorylmethyl 4-methylbenzenesulfonate
Basic Information
CAS
31618-90-3
Multi CAS
No
Molecular Formula
C12H19O6PS
Molecular Weight
322.320000
Exact Mass
322.063996
InChI
InChI=1S/C12H19O6PS/c1-4-16-19(13,17-5-2)10-18-20(14,15)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKey
UOEFFQWLRUBDME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
75.18
TPSA
78.9
LogP / Solubility
WLOGP
2.92
MLOGP
2.59
XLogP3
1.6
Consensus LogP
2.37
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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