CAS RN: 74095-34-4
(Pyridin-3-ylmethyl)phosphonic Acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260221 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTP2527
- Purity/Analytical Methods: >98.0%(T)(HPLC)
74095-34-4 / pyridin-3-ylmethylphosphonic acid
Basic Information
CAS
74095-34-4
Multi CAS
No
Molecular Formula
C6H8NO3P
Molecular Weight
173.110000
Exact Mass
173.024180
InChI
InChI=1S/C6H8NO3P/c8-11(9,10)5-6-2-1-3-7-4-6/h1-4H,5H2,(H2,8,9,10)
InChIKey
QDDHHQXANXQQAY-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
-1.2
Consensus LogP
0.07
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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