CAS RN: 13354-21-7
FLUOREN-9-ONE-2,7-DISULFONYL CHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260529 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS13354-21-7
- Purity/Analytical Methods: >99.0%
13354-21-7 / 9-oxofluorene-2,7-disulfonyl chloride
Basic Information
CAS
13354-21-7
Multi CAS
No
Molecular Formula
C13H6Cl2O5S2
Molecular Weight
377.200000
Exact Mass
375.903371
SMILES
C1=CC2=C(C=C1S(=O)(=O)Cl)C(=O)C3=C2C=CC(=C3)S(=O)(=O)Cl
InChI
InChI=1S/C13H6Cl2O5S2/c14-21(17,18)7-1-3-9-10-4-2-8(22(15,19)20)6-12(10)13(16)11(9)5-7/h1-6H
InChIKey
ZQLFXNQIQZAHMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
81.39
TPSA
85.35
LogP / Solubility
WLOGP
2.75
MLOGP
2.44
XLogP3
3.2
Consensus LogP
2.8
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-3.07
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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- Product Code: starshine_CAS13358-73-1
- Purity/Analytical method: >99.0%
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