![CAS 1334546-77-8 3-Amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)-2-pyridinecarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1334546-77-8.gif)
CAS RN: 1334546-77-8
3-Amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)-2-pyridinecarboxamide
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250627 | 10mg | Out of stock | Inquiry | ||
| Batchno.20251207 | 25mg | In stock | Tianjin | Inquiry | |
| Batchno.20260527 | 50mg | In stock | Tianjin | Inquiry | |
| Batchno.20250525 | 5mg | Out of stock | Inquiry | ||
| Batchno.20260206 | 5mg / 10mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1334546-77-8
- Purity/Analytical Methods: >99.0%
1334546-77-8 / 3-amino-6-methoxy-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]-5-(trifluoromethyl)pyridine-2-carboxamide
Basic Information
CAS
1334546-77-8
Multi CAS
No
Molecular Formula
C12H13F6N3O3
Molecular Weight
361.240000
Exact Mass
361.086110
SMILES
C[C@](CNC(=O)C1=C(C=C(C(=N1)OC)C(F)(F)F)N)(C(F)(F)F)O
InChI
InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/t10-/m0/s1
InChIKey
USHQRIKZLHNPQR-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
69.22
TPSA
97.47
LogP / Solubility
WLOGP
1.73
MLOGP
1.55
XLogP3
2.2
Consensus LogP
1.83
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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