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CAS 1215085-93-0 GLPG0492 (R enantiomer) molecular structure lightbox
CAS RN: 1215085-93-0

GLPG0492 (R enantiomer)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1215085-93-0
  • Purity/Analytical Methods: >99.0%
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1215085-93-0 / 4-[(4R)-4-(hydroxymethyl)-3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

Standard CAS: 1215085-93-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1215085-93-0
Multi CAS
No
Molecular Formula
C19H14F3N3O3
Molecular Weight
389.300000
Exact Mass
389.098726
SMILES
CN1C(=O)N(C(=O)[C@]1(CO)C2=CC=CC=C2)C3=CC(=C(C=C3)C#N)C(F)(F)F
InChI
InChI=1S/C19H14F3N3O3/c1-24-17(28)25(14-8-7-12(10-23)15(9-14)19(20,21)22)16(27)18(24,11-26)13-5-3-2-4-6-13/h2-9,26H,11H2,1H3/t18-/m0/s1
InChIKey
VAJGULUVTFDTAS-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
92.01
TPSA
84.64

LogP / Solubility

WLOGP
2.86
MLOGP
2.54
XLogP3
2.9
Consensus LogP
2.77
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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