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CAS 28460-01-7 Diethyl (Methylthiomethyl)phosphonate molecular structure lightbox
CAS RN: 28460-01-7

Diethyl (Methylthiomethyl)phosphonate

  • Product code: SSC-129821
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 28460-01-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

28460-01-7 / 1-[ethoxy(methylsulfanylmethyl)phosphoryl]oxyethane

Standard CAS: 28460-01-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28460-01-7
Multi CAS
No
Molecular Formula
C6H15O3PS
Molecular Weight
198.220000
Exact Mass
198.047953
InChI
InChI=1S/C6H15O3PS/c1-4-8-10(7,6-11-3)9-5-2/h4-6H2,1-3H3
InChIKey
RAABCCZMKIIGJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
49.24
TPSA
35.53

LogP / Solubility

WLOGP
2.57
MLOGP
2.26
XLogP3
1
Consensus LogP
1.94
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly 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)
-2.1

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

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