CAS RN: 778576-62-8
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5 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250829 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS778576-62-8
- Purity/Analytical Methods: >99.0%
778576-62-8 / N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide
Basic Information
CAS
778576-62-8
Multi CAS
No
Molecular Formula
C20H13CL2F2N3O5S
Molecular Weight
516.300000
Exact Mass
514.992103
InChI
InChI=1S/C20H13Cl2F2N3O5S/c1-33(29,30)27-9-2-4-14-11(6-9)16-10(3-5-15(18(16)31-14)32-20(23)24)19(28)26-17-12(21)7-25-8-13(17)22/h2-8,20,27H,1H3,(H,25,26,28)
InChIKey
OKFDRAHPFKMAJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
19
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
121.03
TPSA
110.53
LogP / Solubility
WLOGP
5.51
MLOGP
4.89
XLogP3
4.6
Consensus LogP
5
Log S (ESOL)
-6.54
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
3
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