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CAS 1401226-49-0 5-(tert-butyldiMethylsilanyloxyMethyl)-5-phenyliMidazolidine-2,4-dione molecular structure lightbox
CAS RN: 1401226-49-0

5-(tert-butyldiMethylsilanyloxyMethyl)-5-phenyliMidazolidine-2,4-dione

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250120 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1401226-49-0
  • Purity/Analytical Methods: >99.0%
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1401226-49-0 / 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylimidazolidine-2,4-dione

Standard CAS: 1401226-49-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1401226-49-0
Multi CAS
No
Molecular Formula
C16H24N2O3Si
Molecular Weight
320.460000
Exact Mass
320.155619
SMILES
CC(C)(C)[Si](C)(C)OCC1(C(=O)NC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C16H24N2O3Si/c1-15(2,3)22(4,5)21-11-16(12-9-7-6-8-10-12)13(19)17-14(20)18-16/h6-10H,11H2,1-5H3,(H2,17,18,19,20)
InChIKey
GQLLPPAGTKNKLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
87.94
TPSA
67.43

LogP / Solubility

WLOGP
2.74
MLOGP
2.43
XLogP3
2.74
Consensus LogP
2.64
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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