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CAS 865854-05-3 4-Benzyl-2-(naphthalen-1-yl)-[1,2,4]thiadiazolidine-3,5-dione molecular structure lightbox
CAS RN: 865854-05-3

4-Benzyl-2-(naphthalen-1-yl)-[1,2,4]thiadiazolidine-3,5-dione

  • Product code: SSC-195764
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 865854-05-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

865854-05-3 / 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione

Standard CAS: 865854-05-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
865854-05-3
Multi CAS
Yes
Molecular Formula
C19H14N2O2S
Molecular Weight
334.400000
Exact Mass
334.077599
InChI
InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
InChIKey
PMJIHLSCWIDGMD-UHFFFAOYSA-N

Physical Properties

Melting Point
148-150ºC
Boiling Point
511.3ºC at 760 mmHg

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
97.23
TPSA
44

LogP / Solubility

WLOGP
3.26
MLOGP
2.89
XLogP3
4.3
Consensus LogP
3.48
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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