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CAS 96847-55-1 Levomilnacipran molecular structure lightbox
CAS RN: 96847-55-1

Levomilnacipran

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250102 1mg / 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS96847-55-1
  • Purity/Analytical Methods: >99.0%
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96847-55-1 / (1R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide

Standard CAS: 96847-55-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96847-55-1
Multi CAS
Yes
Molecular Formula
C15H22N2O
Molecular Weight
246.350000
Exact Mass
246.173213
InChI
InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13?,15-/m0/s1
InChIKey
GJJFMKBJSRMPLA-WUJWULDRSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.21
TPSA
46.33

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.4
Consensus LogP
1.58
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly 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)
-2.97

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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