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CAS 148546-78-5 1-(5-AMINO-2-METHOXYPHENYL)-4-METHYLPIPERAZINE molecular structure lightbox
CAS RN: 148546-78-5

1-(5-AMINO-2-METHOXYPHENYL)-4-METHYLPIPERAZINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251120 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS148546-78-5
  • Purity/Analytical Methods: >99.0%
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148546-78-5 / 4-methoxy-3-(4-methylpiperazin-1-yl)aniline

Standard CAS: 148546-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148546-78-5
Multi CAS
No
Molecular Formula
C12H19N3O
Molecular Weight
221.300000
Exact Mass
221.152812
SMILES
CN1CCN(CC1)C2=C(C=CC(=C2)N)OC
InChI
InChI=1S/C12H19N3O/c1-14-5-7-15(8-6-14)11-9-10(13)3-4-12(11)16-2/h3-4,9H,5-8,13H2,1-2H3
InChIKey
NGRRREPRVBZRID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.12
TPSA
41.73

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
1.1
Consensus LogP
1.01
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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