CAS RN: 1173022-56-4
4-HYDROXY MEPHENYTOIN-D3
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.20250912 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1173022-56-4
- Purity/Analytical Methods: >99.0%
1173022-56-4 / 5-ethyl-5-(4-hydroxyphenyl)-3-(trideuteriomethyl)imidazolidine-2,4-dione
DTXSID90662015 | 5-Ethyl-5-(4-hydroxyphenyl)-3-(~2~H_3_)methylimidazolidine-2,4-dione | RefChem:1072895
Basic Information
CAS
1173022-56-4
Multi CAS
No
Molecular Formula
C12H14N2O3
Molecular Weight
237.270000
Exact Mass
237.119273
SMILES
[2H]C([2H])([2H])N1C(=O)C(NC1=O)(CC)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)/i2D3
InChIKey
OQPLORUDZLXXPD-BMSJAHLVSA-N
Synonyms
DTXSID90662015
5-Ethyl-5-(4-hydroxyphenyl)-3-(~2~H_3_)methylimidazolidine-2,4-dione
RefChem:1072895
DTXCID60612764
(+/-)-4-Hydroxy Mephenytoin-d3
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.38
TPSA
69.64
LogP / Solubility
WLOGP
1.18
MLOGP
1.04
XLogP3
1.2
Consensus LogP
1.14
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-3.31
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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