CAS RN: 1125780-41-7
SKLB 610
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250524 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1125780-41-7
- Purity/Analytical Methods: >99.0%
1125780-41-7 / N-methyl-4-[4-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]pyridine-2-carboxamide
N-METHYL-4-(4-(3-(TRIFLUOROMETHYL)BENZAMIDO)PHENOXY)PICOLINAMIDE | RefChem:927233 | SKLB610
Basic Information
CAS
1125780-41-7
Multi CAS
No
Molecular Formula
C21H16F3N3O3
Molecular Weight
415.400000
Exact Mass
415.114376
SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C21H16F3N3O3/c1-25-20(29)18-12-17(9-10-26-18)30-16-7-5-15(6-8-16)27-19(28)13-3-2-4-14(11-13)21(22,23)24/h2-12H,1H3,(H,25,29)(H,27,28)
InChIKey
WACDHHMEVMSODJ-UHFFFAOYSA-N
Synonyms
N-METHYL-4-(4-(3-(TRIFLUOROMETHYL)BENZAMIDO)PHENOXY)PICOLINAMIDE
RefChem:927233
SKLB610
SKLB 610
MFCD20261423
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
103.54
TPSA
80.32
LogP / Solubility
WLOGP
4.5
MLOGP
3.99
XLogP3
3.7
Consensus LogP
4.06
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06
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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