CAS RN: 873551-20-3
tert-Butyl 4-cyano-5,6-dihydropyridine-1(2H)-carboxylate
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.20250317 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS873551-20-3
- Purity/Analytical Methods: >99.0%
873551-20-3 / tert-butyl 4-cyano-3,6-dihydro-2H-pyridine-1-carboxylate
Basic Information
CAS
873551-20-3
Multi CAS
No
Molecular Formula
C11H16N2O2
Molecular Weight
208.260000
Exact Mass
208.121178
InChI
InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h4H,5-7H2,1-3H3
InChIKey
QFQAHPXXVKMPSS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
56.12
TPSA
53.33
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
1.2
Consensus LogP
1.7
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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