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CAS 201606-44-2 (R)-1-METHYLMEPHENYTOIN molecular structure lightbox
CAS RN: 201606-44-2

(R)-1-METHYLMEPHENYTOIN

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260315 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS201606-44-2
  • Purity/Analytical Methods: >99.0%
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201606-44-2 / (5R)-5-ethyl-1,3-dimethyl-5-phenylimidazolidine-2,4-dione

Standard CAS: 201606-44-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
201606-44-2
Multi CAS
No
Molecular Formula
C13H16N2O2
Molecular Weight
232.280000
Exact Mass
232.121178
SMILES
CC[C@]1(C(=O)N(C(=O)N1C)C)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2O2/c1-4-13(10-8-6-5-7-9-10)11(16)14(2)12(17)15(13)3/h5-9H,4H2,1-3H3/t13-/m1/s1
InChIKey
UOKWEFNDJRRNST-CYBMUJFWSA-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
Molar refractivity
64.34
TPSA
40.62

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.7
Consensus LogP
1.71
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.85

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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