CAS RN: 88150-47-4

Amlodipine maleate

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  • Product code: starshine_CAS88150-47-4
  • Purity/Analytical Methods: >99.0%
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88150-47-4 / (Z)-but-2-enedioic acid;3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Standard CAS: 88150-47-4 Multi CAS: Yes

Basic Information

CAS
88150-47-4
Multi CAS
Yes
Molecular Formula
C24H29CLN2O9
Molecular Weight
524.900000
Exact Mass
524.156158
InChI
InChI=1S/C20H25ClN2O5.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-3(6)1-2-4(7)8/h5-8,17,23H,4,9-11,22H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
TZNOWAJJWCGILX-BTJKTKAUSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
10
H-bond acceptors
9
H-bond donors
4
Molar refractivity
129.99
TPSA
174.48

LogP / Solubility

WLOGP
1.98
MLOGP
1.78
XLogP3
1.98
Consensus LogP
1.91
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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