CAS RN: 796865-82-2
N-Formyl 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.20260425 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS796865-82-2
- Purity/Analytical Methods: >99.0%
796865-82-2 / 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene-14-carbaldehyde
Basic Information
CAS
796865-82-2
Multi CAS
Yes
Molecular Formula
C14H13N3O
Molecular Weight
239.270000
Exact Mass
239.105862
InChI
InChI=1S/C14H13N3O/c18-8-17-6-9-3-10(7-17)12-5-14-13(4-11(9)12)15-1-2-16-14/h1-2,4-5,8-10H,3,6-7H2
InChIKey
WFXWKRXICPYTSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
67.27
TPSA
46.09
LogP / Solubility
WLOGP
1.67
MLOGP
1.48
XLogP3
0.7
Consensus LogP
1.28
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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