CAS RN: 801315-47-9
6-iodo-4-(3-MethoxyphenylaMino)-8-Methylquinoline-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.20250614 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS801315-47-9
- Purity/Analytical Methods: >99.0%
801315-47-9 / 6-iodo-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide;hydrochloride
Basic Information
CAS
801315-47-9
Multi CAS
Yes
Molecular Formula
C19H17LiN3O2
Molecular Weight
469.700000
Exact Mass
469.005400
InChI
InChI=1S/C18H16IN3O2.ClH/c1-10-6-11(19)7-14-16(10)21-9-15(18(20)23)17(14)22-12-4-3-5-13(8-12)24-2;/h3-9H,1-2H3,(H2,20,23)(H,21,22);1H
InChIKey
XILHXGYSIMFTTP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
111.24
TPSA
77.24
LogP / Solubility
WLOGP
4.42
MLOGP
3.92
XLogP3
4.42
Consensus LogP
4.25
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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