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CAS 1835-76-3 9H-FLUORENE-2,7-DISULFONYL DICHLORIDE molecular structure lightbox
CAS RN: 1835-76-3

9H-FLUORENE-2,7-DISULFONYL DICHLORIDE

  • Product code: SSC-084880
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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 1835-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1835-76-3 / 9H-fluorene-2,7-disulfonyl chloride

Standard CAS: 1835-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1835-76-3
Multi CAS
No
Molecular Formula
C13H8Cl2O4S2
Molecular Weight
363.200000
Exact Mass
361.924107
SMILES
C1C2=C(C=CC(=C2)S(=O)(=O)Cl)C3=C1C=C(C=C3)S(=O)(=O)Cl
InChI
InChI=1S/C13H8Cl2O4S2/c14-20(16,17)10-1-3-12-8(6-10)5-9-7-11(21(15,18)19)2-4-13(9)12/h1-4,6-7H,5H2
InChIKey
WILHVYLMKZJHOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
80.76
TPSA
68.28

LogP / Solubility

WLOGP
3.11
MLOGP
2.76
XLogP3
3.7
Consensus LogP
3.19
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
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
Yes
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

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

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