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CAS 473268-46-1 ADDA 5 hydrochloride molecular structure lightbox
CAS RN: 473268-46-1

ADDA 5 hydrochloride

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250602 1mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250312 5mg / 10mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS473268-46-1
  • Purity/Analytical Methods: >99.0%
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473268-46-1 / 1-[2-(1-adamantyl)ethoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride

Standard CAS: 473268-46-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
473268-46-1
Multi CAS
No
Molecular Formula
C24H36CLNO2
Molecular Weight
406.000000
Exact Mass
405.243457
InChI
InChI=1S/C24H35NO2.ClH/c26-23(16-25-7-5-21-3-1-2-4-22(21)15-25)17-27-8-6-24-12-18-9-19(13-24)11-20(10-18)14-24;/h1-4,18-20,23,26H,5-17H2;1H
InChIKey
YZSRZEWBOXEFRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
114.72
TPSA
32.7

LogP / Solubility

WLOGP
4.45
MLOGP
3.94
XLogP3
4.45
Consensus LogP
4.28
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.83
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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