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CAS 192208-60-9 4,5-DINITRO-9-OXO-9H-FLUORENE-2,7-DISULFONYL DICHLORIDE molecular structure lightbox
CAS RN: 192208-60-9

4,5-DINITRO-9-OXO-9H-FLUORENE-2,7-DISULFONYL DICHLORIDE

  • Product code: SSC-089956
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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: 0.25g
  • 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 192208-60-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

192208-60-9 / 4,5-dinitro-9-oxofluorene-2,7-disulfonyl chloride

Standard CAS: 192208-60-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
192208-60-9
Multi CAS
No
Molecular Formula
C13H4Cl2N2O9S2
Molecular Weight
467.200000
Exact Mass
465.873527
SMILES
C1=C(C=C(C2=C1C(=O)C3=C2C(=CC(=C3)S(=O)(=O)Cl)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)Cl
InChI
InChI=1S/C13H4Cl2N2O9S2/c14-27(23,24)5-1-7-11(9(3-5)16(19)20)12-8(13(7)18)2-6(28(15,25)26)4-10(12)17(21)22/h1-4H
InChIKey
YZTSDYIBTIKQHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
9
Molar refractivity
94.7
TPSA
171.63

LogP / Solubility

WLOGP
2.57
MLOGP
2.29
XLogP3
2.8
Consensus LogP
2.55
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.75

Drug-likeness / Medicinal Chemistry

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

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