CAS RN: 2088113-98-6
4-((S)-1-(tetrahydro-2H-pyran-4-yl)ethylamino)-6-(6-(methoxymethyl)pyridin-3-yl)quinoline-3-carboxamide
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.20251222 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2088113-98-6
- Purity/Analytical Methods: >99.0%
2088113-98-6 / 6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]quinoline-3-carboxamide
Basic Information
CAS
2088113-98-6
Multi CAS
No
Molecular Formula
C24H28N4O3
Molecular Weight
420.500000
Exact Mass
420.216141
SMILES
C[C@@H](C1CCOCC1)NC2=C3C=C(C=CC3=NC=C2C(=O)N)C4=CN=C(C=C4)COC
InChI
InChI=1S/C24H28N4O3/c1-15(16-7-9-31-10-8-16)28-23-20-11-17(18-3-5-19(14-30-2)26-12-18)4-6-22(20)27-13-21(23)24(25)29/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H2,25,29)(H,27,28)/t15-/m0/s1
InChIKey
DISRGUXSEDBDDN-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
120.83
TPSA
99.36
LogP / Solubility
WLOGP
3.77
MLOGP
3.34
XLogP3
2.9
Consensus LogP
3.34
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.36
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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