CAS RN: 61337-89-1
1-(3-Hydroxymethylpyridin-2-yl)-4-methyl-2-phenylpiperazine
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250903 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS61337-89-1
- Purity/Analytical Methods: >99.0%
61337-89-1 / [2-(4-methyl-2-phenylpiperazin-1-yl)-3-pyridinyl]methanol
Basic Information
CAS
61337-89-1
Multi CAS
Yes
Molecular Formula
C17H21N3O
Molecular Weight
283.370000
Exact Mass
283.168462
InChI
InChI=1S/C17H21N3O/c1-19-10-11-20(17-15(13-21)8-5-9-18-17)16(12-19)14-6-3-2-4-7-14/h2-9,16,21H,10-13H2,1H3
InChIKey
PYZPABZGIRHQTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
84.19
TPSA
39.6
LogP / Solubility
WLOGP
2.07
MLOGP
1.83
XLogP3
1.8
Consensus LogP
1.9
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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1-(3-Carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine
- CAS RN: 61338-13-4
- Product Code: SSC-170173
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