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CAS 180698-18-4 1-(2-Biphenyl)Piperazine 2Hcl molecular structure lightbox
CAS RN: 180698-18-4

1-(2-Biphenyl)Piperazine 2Hcl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260425 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS180698-18-4
  • Purity/Analytical Methods: >99.0%
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180698-18-4 / 1-(2-phenylphenyl)piperazine

Standard CAS: 180698-18-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
180698-18-4
Multi CAS
No
Molecular Formula
C16H18N2
Molecular Weight
238.330000
Exact Mass
238.146999
SMILES
C1CN(CCN1)C2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C16H18N2/c1-2-6-14(7-3-1)15-8-4-5-9-16(15)18-12-10-17-11-13-18/h1-9,17H,10-13H2
InChIKey
RKRVRTJVCWZOQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.96
TPSA
15.27

LogP / Solubility

WLOGP
2.76
MLOGP
2.44
XLogP3
3.5
Consensus LogP
2.9
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21

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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