CAS RN: 89396-94-1

Imidapril Hydrochloride

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  • Product code: ICTI0901
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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89396-94-1 / (4S)-3-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid;hydrochloride

Standard CAS: 89396-94-1 Multi CAS: Yes

Basic Information

CAS
89396-94-1
Multi CAS
Yes
Molecular Formula
C20H28CLN3O6
Molecular Weight
441.900000
Exact Mass
441.166663
InChI
InChI=1S/C20H27N3O6.ClH/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28;/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26);1H/t13-,15-,16-;/m0./s1
InChIKey
LSLQGMMMRMDXHN-GEUPQXMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
111.33
TPSA
116.25

LogP / Solubility

WLOGP
1.3
MLOGP
1.17
XLogP3
1.3
Consensus LogP
1.26
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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