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CAS 55403-32-2 4-(4-Benzyl-1-piperazinyl)-3-chlorophenylamine molecular structure lightbox
CAS RN: 55403-32-2

4-(4-Benzyl-1-piperazinyl)-3-chlorophenylamine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250209 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS55403-32-2
  • Purity/Analytical Methods: >99.0%
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55403-32-2 / 4-(4-benzylpiperazin-1-yl)-3-chloroaniline

Standard CAS: 55403-32-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55403-32-2
Multi CAS
No
Molecular Formula
C17H20CLN3
Molecular Weight
301.800000
Exact Mass
301.134575
InChI
InChI=1S/C17H20ClN3/c18-16-12-15(19)6-7-17(16)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,19H2
InChIKey
GASJCBVHHUXXCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
89.8
TPSA
32.5

LogP / Solubility

WLOGP
3.24
MLOGP
2.87
XLogP3
3.3
Consensus LogP
3.14
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
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)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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