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CAS 23047-25-8 LOFEPRAMINE molecular structure lightbox
CAS RN: 23047-25-8

LOFEPRAMINE

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251104 100mg In stock Shenzhen Inquiry
Batchno.20260302 250mg Out of stock Inquiry
Batchno.20250603 50mg In stock Shanghai, Shenzhen Inquiry
  • Product code: starshine_CAS23047-25-8
  • Purity/Analytical Methods: >99.0%
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23047-25-8 / 1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone

Standard CAS: 23047-25-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
23047-25-8
Multi CAS
No
Molecular Formula
C26H27ClN2O
Molecular Weight
419.000000
Exact Mass
418.181191
SMILES
CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3
InChIKey
SAPNXPWPAUFAJU-UHFFFAOYSA-N

Physical Properties

Melting Point
104-406 °C
Appearance
Crystals from methanol or acetone
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.27
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
125.19
TPSA
23.55

LogP / Solubility

WLOGP
5.78
MLOGP
5.11
XLogP3
6.8
Consensus LogP
5.9
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-7.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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