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CAS 225240-86-8 CP-409092 hydrochloride molecular structure lightbox
CAS RN: 225240-86-8

CP-409092 hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250622 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS225240-86-8
  • Purity/Analytical Methods: >99.0%
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225240-86-8 / N-[4-(methylaminomethyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide;hydrochloride

Standard CAS: 225240-86-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
225240-86-8
Multi CAS
No
Molecular Formula
C17H20ClN3O2
Molecular Weight
333.800000
Exact Mass
333.124405
SMILES
CNCC1=CC=C(C=C1)NC(=O)C2=CNC3=C2C(=O)CCC3.Cl
InChI
InChI=1S/C17H19N3O2.ClH/c1-18-9-11-5-7-12(8-6-11)20-17(22)13-10-19-14-3-2-4-15(21)16(13)14;/h5-8,10,18-19H,2-4,9H2,1H3,(H,20,22);1H
InChIKey
XUBYQTCAOAXNKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
92.47
TPSA
73.99

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
2.93
Consensus LogP
2.82
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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