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CAS 1154-25-2 EIPA molecular structure lightbox
CAS RN: 1154-25-2

EIPA

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  • Product code: starshine_CAS1154-25-2
  • Purity/Analytical Methods: >99.0%
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1154-25-2 / 3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide

EIPA | Ethylisopropylamiloride | Ethyl isopropyl amiloride

Standard CAS: 1154-25-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1154-25-2
Multi CAS
Yes
Molecular Formula
C11H18ClN7O
Molecular Weight
299.760000
Exact Mass
299.126136
SMILES
CCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)C
InChI
InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
InChIKey
QDERNBXNXJCIQK-UHFFFAOYSA-N
Synonyms
EIPA Ethylisopropylamiloride Ethyl isopropyl amiloride 5-(Ethylisopropyl)amiloride VW50CE070T

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
79.75
TPSA
136.51

LogP / Solubility

WLOGP
0.36
MLOGP
0.33
XLogP3
1.3
Consensus LogP
0.66
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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