CAS RN: 1123231-07-1
MAY-262611
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.20260609 | 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1123231-07-1
- Purity/Analytical Methods: >99.0%
1123231-07-1 / [1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
(1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine | NPP-methanamine | {1-[4-(naphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl}methanamine
Basic Information
CAS
1123231-07-1
Multi CAS
Yes
Molecular Formula
C20H22N4
Molecular Weight
318.400000
Exact Mass
318.184447
SMILES
C1CN(CCC1CN)C2=NC=CC(=N2)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C20H22N4/c21-14-15-8-11-24(12-9-15)20-22-10-7-19(23-20)18-6-5-16-3-1-2-4-17(16)13-18/h1-7,10,13,15H,8-9,11-12,14,21H2
InChIKey
QHLITPHIARVDJI-UHFFFAOYSA-N
Synonyms
(1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine
NPP-methanamine
{1-[4-(naphthalen-2-yl)pyrimidin-2-yl]piperidin-4-yl}methanamine
RefChem:905607
WAY-262611
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
98.97
TPSA
55.04
LogP / Solubility
WLOGP
3.47
MLOGP
3.07
XLogP3
3.4
Consensus LogP
3.31
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
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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