CAS RN: 182485-36-5
(1,2,5,6-TETRAHYDROPYRIDIN-4-YL)METHYLPHOSPHINIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250822 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS182485-36-5
- Purity/Analytical Methods: >99.0%
182485-36-5 / methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid
Basic Information
CAS
182485-36-5
Multi CAS
No
Molecular Formula
C6H12NO2P
Molecular Weight
161.140000
Exact Mass
161.060566
SMILES
CP(=O)(C1=CCNCC1)O
InChI
InChI=1S/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9)
InChIKey
MFUKVPOVVKKLRQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.32
TPSA
49.33
LogP / Solubility
WLOGP
0.76
MLOGP
0.67
XLogP3
-3.5
Consensus LogP
-0.69
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.16
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
2
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