CAS RN: 1083162-61-1
FIN56
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250726 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250127 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260507 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260510 | 250mg | Out of stock | Inquiry | |
| Batchno.20250215 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250907 | 50mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250508 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1083162-61-1
- Purity/Analytical Methods: >99.0%
1083162-61-1 / 2-N,7-N-dicyclohexyl-9-hydroxyiminofluorene-2,7-disulfonamide
FIN56 | CHEBI:176419 | RefChem:1085373
Basic Information
CAS
1083162-61-1
Multi CAS
No
Molecular Formula
C25H31N3O5S2
Molecular Weight
517.700000
Exact Mass
517.170513
SMILES
C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)NC5CCCCC5
InChI
InChI=1S/C25H31N3O5S2/c29-26-25-23-15-19(34(30,31)27-17-7-3-1-4-8-17)11-13-21(23)22-14-12-20(16-24(22)25)35(32,33)28-18-9-5-2-6-10-18/h11-18,27-29H,1-10H2
InChIKey
JLCFMMIWBSZOIS-UHFFFAOYSA-N
Synonyms
FIN56
CHEBI:176419
RefChem:1085373
N2,N7-dicyclohexyl-9-(hydroxyimino)-9H-fluorene-2,7-disulfonamide
FIN 56
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
133.69
TPSA
124.93
LogP / Solubility
WLOGP
4.12
MLOGP
3.66
XLogP3
4.9
Consensus LogP
4.23
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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