CAS RN: 125650-44-4
5-CYCLOBUTYL-5-PHENYLHYDANTOIN
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260131 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS125650-44-4
- Purity/Analytical Methods: >99.0%
125650-44-4 / 5-cyclobutyl-5-phenylimidazolidine-2,4-dione
Basic Information
CAS
125650-44-4
Multi CAS
No
Molecular Formula
C13H14N2O2
Molecular Weight
230.260000
Exact Mass
230.105528
SMILES
C1CC(C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C13H14N2O2/c16-11-13(10-7-4-8-10,15-12(17)14-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,14,15,16,17)
InChIKey
YFMSPNSDLBGLRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.14
TPSA
58.2
LogP / Solubility
WLOGP
1.52
MLOGP
1.34
XLogP3
1.9
Consensus LogP
1.59
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately 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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
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