CAS RN: 944401-82-5
7-(methylsulfonyl)quinolin-3-amine
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.20260131 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS944401-82-5
- Purity/Analytical Methods: >99.0%
944401-82-5 / 7-methylsulfonylquinolin-3-amine
Basic Information
CAS
944401-82-5
Multi CAS
No
Molecular Formula
C10H10N2O2S
Molecular Weight
222.270000
Exact Mass
222.046299
InChI
InChI=1S/C10H10N2O2S/c1-15(13,14)9-3-2-7-4-8(11)6-12-10(7)5-9/h2-6H,11H2,1H3
InChIKey
XAEZFBGIRMELPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.27
TPSA
73.05
LogP / Solubility
WLOGP
1.22
MLOGP
1.08
XLogP3
0.7
Consensus LogP
1
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.21
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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