CAS RN: 448950-89-8
7-Chloro-1-methyl-5-phenyl-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260210 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS448950-89-8
- Purity/Analytical Methods: >99.0%
448950-89-8 / 7-chloro-1-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinolin-4-amine
Basic Information
CAS
448950-89-8
Multi CAS
No
Molecular Formula
C17H13CLN4
Molecular Weight
308.800000
Exact Mass
308.082874
InChI
InChI=1S/C17H13ClN4/c1-10-20-21-17-16(19)15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)22(10)17/h2-9H,19H2,1H3
InChIKey
UZCOFCPJYLEACT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
19
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.09
TPSA
56.21
LogP / Solubility
WLOGP
4.09
MLOGP
3.62
XLogP3
4.5
Consensus LogP
4.07
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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