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CAS 15414-82-1 5-Ethylhydantoin molecular structure lightbox
CAS RN: 15414-82-1

5-Ethylhydantoin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250927 1g Out of stock 5-7 business days Inquiry
  • Product code: ICTE0286
  • Purity/Analytical Methods: >92.0%(T)
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15414-82-1 / 5-ethylimidazolidine-2,4-dione

Standard CAS: 15414-82-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15414-82-1
Multi CAS
No
Molecular Formula
C5H8N2O2
Molecular Weight
128.130000
Exact Mass
128.058578
SMILES
CCC1C(=O)NC(=O)N1
InChI
InChI=1S/C5H8N2O2/c1-2-3-4(8)7-5(9)6-3/h3H,2H2,1H3,(H2,6,7,8,9)
InChIKey
RSBRXBZGVHQUJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.75
TPSA
58.2

LogP / Solubility

WLOGP
-0.4
MLOGP
-0.36
XLogP3
-0.1
Consensus LogP
-0.29
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.28
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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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