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CAS 227316-23-6 [2-(4-Oxo-2-thioxo-3-thiazolidinyl)ethyl]phosphonic Acid molecular structure lightbox
CAS RN: 227316-23-6

[2-(4-Oxo-2-thioxo-3-thiazolidinyl)ethyl]phosphonic Acid

  • Product code: SSC-110829
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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, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 227316-23-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.1g ≥95% 3 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry

227316-23-6 / 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethylphosphonic acid

Standard CAS: 227316-23-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
227316-23-6
Multi CAS
No
Molecular Formula
C5H8NO4PS2
Molecular Weight
241.200000
Exact Mass
240.963237
SMILES
C1C(=O)N(C(=S)S1)CCP(=O)(O)O
InChI
InChI=1S/C5H8NO4PS2/c7-4-3-13-5(12)6(4)1-2-11(8,9)10/h1-3H2,(H2,8,9,10)
InChIKey
DFKXTNMXQGNCKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.68
TPSA
77.84

LogP / Solubility

WLOGP
0.02
MLOGP
0.03
XLogP3
-1
Consensus LogP
-0.32
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
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)
-4.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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