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CAS 745031-35-0 (2S,5S)-1-Benzyl-2,5-Dimethyl-Piperazine molecular structure lightbox
CAS RN: 745031-35-0

(2S,5S)-1-Benzyl-2,5-Dimethyl-Piperazine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS745031-35-0
  • Purity/Analytical Methods: >99.0%
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745031-35-0 / 1-benzyl-2,5-dimethylpiperazine

Standard CAS: 745031-35-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
745031-35-0
Multi CAS
Yes
Molecular Formula
C13H20N2
Molecular Weight
204.310000
Exact Mass
204.162649
InChI
InChI=1S/C13H20N2.2ClH/c1-11-9-15(12(2)8-14-11)10-13-6-4-3-5-7-13;;/h3-7,11-12,14H,8-10H2,1-2H3;2*1H/t11-,12-;;/m0../s1
InChIKey
NNOPREOUOQQPDC-AQEKLAMFSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.78
TPSA
15.27

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
2
Consensus LogP
1.84
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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