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CAS 354813-14-2 METHYL 4-(4-METHYLPIPERAZIN-1-YL)BENZOATE molecular structure lightbox
CAS RN: 354813-14-2

METHYL 4-(4-METHYLPIPERAZIN-1-YL)BENZOATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250218 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS354813-14-2
  • Purity/Analytical Methods: >99.0%
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354813-14-2 / methyl 4-(4-methylpiperazin-1-yl)benzoate

Standard CAS: 354813-14-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
354813-14-2
Multi CAS
No
Molecular Formula
C13H18N2O2
Molecular Weight
234.290000
Exact Mass
234.136828
InChI
InChI=1S/C13H18N2O2/c1-14-7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17-2/h3-6H,7-10H2,1-2H3
InChIKey
LXCXOZWVDWCOCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.49
TPSA
32.78

LogP / Solubility

WLOGP
1.22
MLOGP
1.08
XLogP3
1.7
Consensus LogP
1.33
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-3.28

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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