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CAS 5424-27-1 (4-Aminobenzyl)phosphonic Acid molecular structure lightbox
CAS RN: 5424-27-1

(4-Aminobenzyl)phosphonic Acid

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250221 1g In stock Inquiry
Batchno.20260111 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260531 100mg / 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-161867
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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 5424-27-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

5424-27-1 / (4-aminophenyl)methylphosphonic acid

Standard CAS: 5424-27-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5424-27-1
Multi CAS
Yes
Molecular Formula
C7H10NO3P
Molecular Weight
187.130000
Exact Mass
187.039830
InChI
InChI=1S/C7H10NO3P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKey
NEKHKXMBGWNTOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
46.6
TPSA
83.55

LogP / Solubility

WLOGP
0.95
MLOGP
0.83
XLogP3
-0.8
Consensus LogP
0.33
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
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)
-3.19

Drug-likeness / Medicinal Chemistry

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

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