![CAS 613677-28-4 Benzamide, 2,4,6-trifluoro-N-[6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl]-, hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/613677-28-4.gif)
CAS RN: 613677-28-4
Benzamide, 2,4,6-trifluoro-N-[6-[(1-methyl-4-piperidinyl)carbonyl]-2-pyridinyl]-, hydrochloride (1:1)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260602 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS613677-28-4
- Purity/Analytical Methods: >99.0%
613677-28-4 / 2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide;hydrochloride
Basic Information
CAS
613677-28-4
Multi CAS
No
Molecular Formula
C19H19CLF3N3O2
Molecular Weight
413.800000
Exact Mass
413.111789
InChI
InChI=1S/C19H18F3N3O2.ClH/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22;/h2-4,9-11H,5-8H2,1H3,(H,23,24,27);1H
InChIKey
YBTPRLDGGGYWIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
100.31
TPSA
62.3
LogP / Solubility
WLOGP
3.7
MLOGP
3.28
XLogP3
3.7
Consensus LogP
3.56
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62
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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