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CAS 58816-01-6 Phosphonic acid, 4-pyridinyl- molecular structure lightbox
CAS RN: 58816-01-6

Phosphonic acid, 4-pyridinyl-

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 100mg In stock Shanghai Inquiry
Batchno.20260118 1g In stock Shanghai Inquiry
Batchno.20250627 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260520 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS58816-01-6
  • Purity/Analytical Methods: >99.0%
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58816-01-6 / pyridin-4-ylphosphonic acid

Standard CAS: 58816-01-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58816-01-6
Multi CAS
No
Molecular Formula
C5H6NO3P
Molecular Weight
159.080000
Exact Mass
159.008530
InChI
InChI=1S/C5H6NO3P/c7-10(8,9)5-1-3-6-4-2-5/h1-4H,(H2,7,8,9)
InChIKey
MRIJGWKJWWKGKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.92
TPSA
70.42

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.11
XLogP3
-1.1
Consensus LogP
-0.44
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very 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)
-3.77

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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