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CAS 4333-19-1 PHENYLTHIOHYDANTOIN-DL-ALANINE molecular structure lightbox
CAS RN: 4333-19-1

PHENYLTHIOHYDANTOIN-DL-ALANINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS4333-19-1
  • Purity/Analytical Methods: >99.0%
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4333-19-1 / (5S)-5-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

Standard CAS: 4333-19-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4333-19-1
Multi CAS
Yes
Molecular Formula
C10H10N2OS
Molecular Weight
206.270000
Exact Mass
206.051384
InChI
InChI=1S/C10H10N2OS/c1-7-9(13)12(10(14)11-7)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,14)
InChIKey
XGPFPXALZVOKRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.12
TPSA
32.34

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
1.7
Consensus LogP
1.38
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-3.06

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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