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CAS 96027-74-6 Desethyl Amiodarone Hydrochloride molecular structure lightbox
CAS RN: 96027-74-6

Desethyl Amiodarone Hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS96027-74-6
  • Purity/Analytical Methods: >99.0%
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96027-74-6 / (2-butyl-1-benzofuran-3-yl)-[4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride

Standard CAS: 96027-74-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96027-74-6
Multi CAS
Yes
Molecular Formula
C24H26Li2NO3
Molecular Weight
653.700000
Exact Mass
652.969070
InChI
InChI=1S/C23H25I2NO3.ClH/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2;/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3;1H
InChIKey
OCQPMJVGWGJLLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
141.42
TPSA
51.47

LogP / Solubility

WLOGP
6.63
MLOGP
5.89
XLogP3
6.63
Consensus LogP
6.38
Log S (ESOL)
-7.78
Class (ESOL)
Insoluble
Log S (Ali)
-9.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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