CAS RN: 328055-92-1
N-Methyl Varenicline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260111 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS328055-92-1
- Purity/Analytical Methods: >99.0%
328055-92-1 / 14-methyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
Basic Information
CAS
328055-92-1
Multi CAS
Yes
Molecular Formula
C14H15N3
Molecular Weight
225.290000
Exact Mass
225.126597
InChI
InChI=1S/C14H15N3/c1-17-7-9-4-10(8-17)12-6-14-13(5-11(9)12)15-2-3-16-14/h2-3,5-6,9-10H,4,7-8H2,1H3/t9-,10+
InChIKey
NJHXRPHFYMFVFC-AOOOYVTPSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.43
H-bond acceptors
3
Molar refractivity
67.13
TPSA
29.02
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
1.3
Consensus LogP
1.78
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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