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CAS 16294-75-0 Solvent Orange 63 molecular structure lightbox
CAS RN: 16294-75-0

Solvent Orange 63

  • Product code: SSC-070468
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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: 100g
  • 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 16294-75-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

16294-75-0 / 8-thiahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaen-19-one

Standard CAS: 16294-75-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
16294-75-0
Multi CAS
No
Molecular Formula
C23H12OS
Molecular Weight
336.400000
Exact Mass
336.060886
SMILES
C1=CC=C2C(=C1)C3=CC=C4C5=C(C=CC(=C35)C2=O)C6=CC=CC=C6S4
InChI
InChI=1S/C23H12OS/c24-23-17-7-2-1-5-13(17)15-11-12-20-22-16(9-10-18(23)21(15)22)14-6-3-4-8-19(14)25-20/h1-12H
InChIKey
NVNWZZLOQBHTCW-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
24
H-bond acceptors
2
Molar refractivity
109.31
TPSA
17.07

LogP / Solubility

WLOGP
6.31
MLOGP
5.57
XLogP3
6.1
Consensus LogP
5.99
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-6.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2205 of 2229 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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