[email protected]
CAS 722465-80-7 5-(3,4-DICHLORO-BENZYLIDENE)-3-(2-FLUORO-PHENYL)-2-THIOXO-IMIDAZOLIDIN-4-ONE molecular structure lightbox
CAS RN: 722465-80-7

5-(3,4-DICHLORO-BENZYLIDENE)-3-(2-FLUORO-PHENYL)-2-THIOXO-IMIDAZOLIDIN-4-ONE

  • Product code: SSC-181803
GET A QUOTE
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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 722465-80-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

722465-80-7 / 5-[(3,4-dichlorophenyl)methylidene]-3-(2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one

Standard CAS: 722465-80-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
722465-80-7
Multi CAS
Yes
Molecular Formula
C16H9CL2FN2OS
Molecular Weight
367.200000
Exact Mass
365.979668
InChI
InChI=1S/C16H9Cl2FN2OS/c17-10-6-5-9(7-11(10)18)8-13-15(22)21(16(23)20-13)14-4-2-1-3-12(14)19/h1-8H,(H,20,23)/b13-8-
InChIKey
OSMGJNMAUTVZKV-JYRVWZFOSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
94.06
TPSA
32.34

LogP / Solubility

WLOGP
4.39
MLOGP
3.89
XLogP3
4.8
Consensus LogP
4.36
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly soluble

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)
-1.84

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us