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CAS 4332-97-2 Phenylthiohydantoin-phenylalanine molecular structure lightbox
CAS RN: 4332-97-2

Phenylthiohydantoin-phenylalanine

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4 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250523 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250124 200mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260523 100mg In stock Shanghai Inquiry
Batchno.20260701 1g Out of stock 8-10 business days Inquiry
  • Product code: ICTP0367
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4332-97-2 / 5-benzyl-3-phenyl-2-sulfanylideneimidazolidin-4-one

Standard CAS: 4332-97-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4332-97-2
Multi CAS
Yes
Molecular Formula
C16H14N2OS
Molecular Weight
282.400000
Exact Mass
282.082684
InChI
InChI=1S/C16H14N2OS/c19-15-14(11-12-7-3-1-4-8-12)17-16(20)18(15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,20)
InChIKey
HIDCDSHFIITFOM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.6
TPSA
32.34

LogP / Solubility

WLOGP
2.52
MLOGP
2.23
XLogP3
3.3
Consensus LogP
2.68
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

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
2

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