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CAS 776269-51-3 2-m-tolylpiperazine molecular structure lightbox
CAS RN: 776269-51-3

2-m-tolylpiperazine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251109 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS776269-51-3
  • Purity/Analytical Methods: >99.0%
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776269-51-3 / 2-(3-methylphenyl)piperazine

Standard CAS: 776269-51-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
776269-51-3
Multi CAS
No
Molecular Formula
C11H16N2
Molecular Weight
176.260000
Exact Mass
176.131349
InChI
InChI=1S/C11H16N2/c1-9-3-2-4-10(7-9)11-8-12-5-6-13-11/h2-4,7,11-13H,5-6,8H2,1H3
InChIKey
HGRYPWVHQPPINF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.79
TPSA
24.06

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
1
Consensus LogP
1.1
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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