CAS RN: 872714-54-0
6-methoxy-4-vinylquinoline-3-carbonitrile
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.20260615 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS872714-54-0
- Purity/Analytical Methods: >99.0%
872714-54-0 / 4-ethenyl-6-methoxyquinoline-3-carbonitrile
Basic Information
CAS
872714-54-0
Multi CAS
No
Molecular Formula
C13H10N2O
Molecular Weight
210.230000
Exact Mass
210.079313
InChI
InChI=1S/C13H10N2O/c1-3-11-9(7-14)8-15-13-5-4-10(16-2)6-12(11)13/h3-6,8H,1H2,2H3
InChIKey
NWMXWYGJPOKJKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.1
TPSA
45.91
LogP / Solubility
WLOGP
2.76
MLOGP
2.43
XLogP3
2.7
Consensus LogP
2.63
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-2.04
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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