CAS RN: 2377173-47-0
INDEX NAME NOT YET ASSIGNED
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250317 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS2377173-47-0
- Purity/Analytical Methods: >99.0%
2377173-47-0 / 4-[4-[4-(4-cyanophenoxy)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]benzonitrile
Basic Information
CAS
2377173-47-0
Multi CAS
No
Molecular Formula
C26H8F8N2O2
Molecular Weight
532.300000
Exact Mass
532.045803
SMILES
C1=CC(=CC=C1C#N)OC2=C(C(=C(C(=C2F)F)C3=C(C(=C(C(=C3F)F)OC4=CC=C(C=C4)C#N)F)F)F)F
InChI
InChI=1S/C26H8F8N2O2/c27-17-15(18(28)22(32)25(21(17)31)37-13-5-1-11(9-35)2-6-13)16-19(29)23(33)26(24(34)20(16)30)38-14-7-3-12(10-36)4-8-14/h1-8H
InChIKey
FSPPXGALVDLGFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
24
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
114
TPSA
66.04
LogP / Solubility
WLOGP
7.79
MLOGP
6.9
XLogP3
6.8
Consensus LogP
7.16
Log S (ESOL)
-8.19
Class (ESOL)
Insoluble
Log S (Ali)
-9.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.19
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.43
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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