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CAS 1087223-70-8 1-Methoxy Amiodarone molecular structure lightbox
CAS RN: 1087223-70-8

1-Methoxy Amiodarone

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260220 5mg Out of stock 5-7 business days Inquiry
  • Product code: LINM910192
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1087223-70-8 / [4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-[2-(1-methoxybutyl)-1-benzofuran-3-yl]methanone

1-Methoxy Amiodarone | (4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)(2-(1-methoxybutyl)benzofuran-3-yl)methanone | Amiodarone EP Impurity G

Standard CAS: 1087223-70-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1087223-70-8
Multi CAS
No
Molecular Formula
C26H31I2NO4
Molecular Weight
675.300000
Exact Mass
675.034250
SMILES
CCCC(C1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I)OC
InChI
InChI=1S/C26H31I2NO4/c1-5-10-22(31-4)26-23(18-11-8-9-12-21(18)33-26)24(30)17-15-19(27)25(20(28)16-17)32-14-13-29(6-2)7-3/h8-9,11-12,15-16,22H,5-7,10,13-14H2,1-4H3
InChIKey
QDIGHYCNRQYPFR-UHFFFAOYSA-N
Synonyms
1-Methoxy Amiodarone (4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)(2-(1-methoxybutyl)benzofuran-3-yl)methanone Amiodarone EP Impurity G METHOXY AMIODARONE (4-(2-(Diethylamino)ethoxy)-3,5-diiodophenyl)-(2-(1-methoxybutyl)benzofuran-3-yl)methanone

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
15
Fraction Csp3
0.42
Rotatable bonds
12
H-bond acceptors
5
Molar refractivity
149.46
TPSA
51.91

LogP / Solubility

WLOGP
7.08
MLOGP
6.29
XLogP3
6.8
Consensus LogP
6.72
Log S (ESOL)
-8.03
Class (ESOL)
Insoluble
Log S (Ali)
-10.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.37
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)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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