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CAS 20529-23-1 1-(3-AMinopropyl)-4-(2-Methoxyphenyl)piperazine 97% molecular structure lightbox
CAS RN: 20529-23-1

1-(3-AMinopropyl)-4-(2-Methoxyphenyl)piperazine 97%

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250915 200mg / 1g / 5g / 25g Confirm by inquiry Guangdong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260314 200mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS20529-23-1
  • Purity/Analytical Methods: >99.0%
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20529-23-1 / 3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine

Standard CAS: 20529-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20529-23-1
Multi CAS
No
Molecular Formula
C14H23N3O
Molecular Weight
249.350000
Exact Mass
249.184112
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCN
InChI
InChI=1S/C14H23N3O/c1-18-14-6-3-2-5-13(14)17-11-9-16(10-12-17)8-4-7-15/h2-3,5-6H,4,7-12,15H2,1H3
InChIKey
OVGGXHMQXIQOBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.32
TPSA
41.73

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
1.2
Consensus LogP
1.13
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-3.41

Drug-likeness / Medicinal Chemistry

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

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