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CAS 26530-60-9 Methyl 2-diMethoxyphosphorylpropanoate molecular structure lightbox
CAS RN: 26530-60-9

Methyl 2-diMethoxyphosphorylpropanoate

  • Product code: SSC-124474
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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, 0.1g, 0.25g, 10g, 25g
  • Available purity: >96%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 26530-60-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >96% 3 In Stock Beijing Inquiry
5g >96% 3 In Stock Hong Kong Inquiry
0.1g >96% 1 In Stock Beijing Inquiry
0.25g >96% 1 In Stock Hong Kong Inquiry
10g >96% 1 In Stock Beijing Inquiry
25g >96% 1 In Stock Shenzhen Inquiry

26530-60-9 / methyl 2-dimethoxyphosphorylpropanoate

Standard CAS: 26530-60-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26530-60-9
Multi CAS
No
Molecular Formula
C6H13O5P
Molecular Weight
196.140000
Exact Mass
196.050061
SMILES
CC(C(=O)OC)P(=O)(OC)OC
InChI
InChI=1S/C6H13O5P/c1-5(6(7)9-2)12(8,10-3)11-4/h5H,1-4H3
InChIKey
STYUEUAAPQZSTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
43.1
TPSA
61.83

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
-0.2
Consensus LogP
0.58
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
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)
-3.18

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
2

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