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CAS 80241-45-8 (Pyridin-2-ylmethyl)phosphonic Acid molecular structure lightbox
CAS RN: 80241-45-8

(Pyridin-2-ylmethyl)phosphonic Acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251008 100mg Out of stock 8-10 business days Inquiry
  • Product code: ICTP2526
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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80241-45-8 / pyridin-2-ylmethylphosphonic acid

Standard CAS: 80241-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80241-45-8
Multi CAS
No
Molecular Formula
C6H8NO3P
Molecular Weight
173.110000
Exact Mass
173.024180
InChI
InChI=1S/C6H8NO3P/c8-11(9,10)5-6-3-1-2-4-7-6/h1-4H,5H2,(H2,8,9,10)
InChIKey
WVWCWWLEFNGDBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.99
TPSA
70.42

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
-1.1
Consensus LogP
0.11
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.24

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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