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CAS 5337-17-7 (4-Aminophenyl)phosphonic Acid molecular structure lightbox
CAS RN: 5337-17-7

(4-Aminophenyl)phosphonic Acid

  • Product code: SSC-160686
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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: 1g
  • 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 5337-17-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

5337-17-7 / (4-aminophenyl)phosphonic acid

Standard CAS: 5337-17-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5337-17-7
Multi CAS
Yes
Molecular Formula
C6H8NO3P
Molecular Weight
173.110000
Exact Mass
173.024180
InChI
InChI=1S/C6H8NO3P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChIKey
OAOBMEMWHJWPNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
42.53
TPSA
83.55

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
XLogP3
-0.1
Consensus LogP
0.01
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.96
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
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)
-3.72

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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