CAS RN: 2102410-21-7
5-methoxyquinoline-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.20250802 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2102410-21-7
- Purity/Analytical Methods: >99.0%
2102410-21-7 / 5-methoxyquinoline-3-carbonitrile
Basic Information
CAS
2102410-21-7
Multi CAS
No
Molecular Formula
C11H8N2O
Molecular Weight
184.190000
Exact Mass
184.063663
SMILES
COC1=CC=CC2=C1C=C(C=N2)C#N
InChI
InChI=1S/C11H8N2O/c1-14-11-4-2-3-10-9(11)5-8(6-12)7-13-10/h2-5,7H,1H3
InChIKey
RCTBBAUFMPEBPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.01
TPSA
45.91
LogP / Solubility
WLOGP
2.12
MLOGP
1.86
XLogP3
1.9
Consensus LogP
1.96
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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