CAS RN: 71140-51-7
(R)-(-)-MEPHENYTOIN
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS71140-51-7
- Purity/Analytical Methods: >99.0%
71140-51-7 / 5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione
Basic Information
CAS
71140-51-7
Multi CAS
Yes
Molecular Formula
C12H14N2O2
Molecular Weight
218.250000
Exact Mass
218.105528
InChI
InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)/t12-/m1/s1
InChIKey
GMHKMTDVRCWUDX-GFCCVEGCSA-N
Physical Properties
Melting Point
136 to 137 °C
135 °C
Physical Description
Solid
Appearance
Crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.71
TPSA
49.41
LogP / Solubility
WLOGP
1.47
MLOGP
1.3
XLogP3
1.5
Consensus LogP
1.42
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-3.01
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
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