![CAS 2417718-63-7 2-Naphthalenecarboxamide, N-[(1S)-1-(6-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2417718-63-7.gif)
CAS RN: 2417718-63-7
2-Naphthalenecarboxamide, N-[(1S)-1-(6-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-
Product Availability
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8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250307 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250728 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250427 | 10mg / 25mg / 50mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251130 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260426 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250417 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260608 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250127 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2417718-63-7
- Purity/Analytical Methods: >99.0%
2417718-63-7 / N-[(1S)-1-(6-amino-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
Basic Information
CAS
2417718-63-7
Multi CAS
No
Molecular Formula
C25H20F3N3O
Molecular Weight
435.400000
Exact Mass
435.155847
SMILES
C[C@@H](C1=NC(=CC=C1)N)NC(=O)C2=CC3=C(C=C2)C(=CC=C3)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C25H20F3N3O/c1-15(22-6-3-7-23(29)31-22)30-24(32)18-10-13-21-17(14-18)4-2-5-20(21)16-8-11-19(12-9-16)25(26,27)28/h2-15H,1H3,(H2,29,31)(H,30,32)/t15-/m0/s1
InChIKey
OBEXKSHQMHIUFP-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
22
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
118.92
TPSA
68.01
LogP / Solubility
WLOGP
5.99
MLOGP
5.3
XLogP3
5.5
Consensus LogP
5.6
Log S (ESOL)
-6.56
Class (ESOL)
Insoluble
Log S (Ali)
-7.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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