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CAS 303792-66-7 (Z)-4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-phenylbutanamide molecular structure lightbox
CAS RN: 303792-66-7

(Z)-4-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-phenylbutanamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251122 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS303792-66-7
  • Purity/Analytical Methods: >99.0%
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303792-66-7 / 4-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylbutanamide

Standard CAS: 303792-66-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
303792-66-7
Multi CAS
Yes
Molecular Formula
C20H18N2O2S2
Molecular Weight
382.500000
Exact Mass
382.080970
InChI
InChI=1S/C20H18N2O2S2/c23-18(21-16-10-5-2-6-11-16)12-7-13-22-19(24)17(26-20(22)25)14-15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13H2,(H,21,23)/b17-14-
InChIKey
CLVUXPMGRSDELA-VKAVYKQESA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
110.63
TPSA
49.41

LogP / Solubility

WLOGP
4.31
MLOGP
3.81
XLogP3
4.1
Consensus LogP
4.07
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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