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CAS 4297-95-4 Sodium phenylphosphinate molecular structure lightbox
CAS RN: 4297-95-4

Sodium phenylphosphinate

  • Product code: SSC-151275
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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: 25g
  • Available purity: ≥95%
  • 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 4297-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

4297-95-4 / sodium phenylphosphinate

Standard CAS: 4297-95-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4297-95-4
Multi CAS
Yes
Molecular Formula
C6H6NAO2P
Molecular Weight
164.070000
Exact Mass
164.000311
InChI
InChI=1S/C6H5O2P.Na/c7-9(8)6-4-2-1-3-5-6;/h1-5H;/q;+1
InChIKey
HHJJPFYGIRKQOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
35.08
TPSA
40.13

LogP / Solubility

WLOGP
-2.85
MLOGP
-2.51
XLogP3
-2.85
Consensus LogP
-2.74
Log S (ESOL)
0.56
Class (ESOL)
Highly soluble
Log S (Ali)
1.15
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.52
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.74

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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