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CAS 5624-08-8 PHENYLTHIOHYDANTOIN-ASPARTIC ACID molecular structure lightbox
CAS RN: 5624-08-8

PHENYLTHIOHYDANTOIN-ASPARTIC ACID

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260126 100mg In stock Inquiry
Batchno.20260217 25mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250715 5mg / 25mg / 100mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS5624-08-8
  • Purity/Analytical Methods: >99.0%
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5624-08-8 / 2-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide

Standard CAS: 5624-08-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5624-08-8
Multi CAS
Yes
Molecular Formula
C11H11N3O2S
Molecular Weight
249.290000
Exact Mass
249.057198
InChI
InChI=1S/C11H11N3O2S/c12-9(15)6-8-10(16)14(11(17)13-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,15)(H,13,17)
InChIKey
ZQGVIKNSDQBZSS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.26
TPSA
75.43

LogP / Solubility

WLOGP
0.15
MLOGP
0.14
XLogP3
0.2
Consensus LogP
0.16
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-4.13

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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