CAS RN: 946293-78-3
Aumitin
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250901 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS946293-78-3
- Purity/Analytical Methods: >99.0%
946293-78-3 / N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-chlorobenzamide
Basic Information
CAS
946293-78-3
Multi CAS
No
Molecular Formula
C24H20CLN5O
Molecular Weight
429.900000
Exact Mass
429.135638
InChI
InChI=1S/C24H20ClN5O/c1-16-15-22(27-17-7-3-2-4-8-17)30-24(26-16)29-19-13-11-18(12-14-19)28-23(31)20-9-5-6-10-21(20)25/h2-15H,1H3,(H,28,31)(H2,26,27,29,30)
InChIKey
VJNNQBDSUIVCKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
125.62
TPSA
78.94
LogP / Solubility
WLOGP
6.18
MLOGP
5.46
XLogP3
5.8
Consensus LogP
5.81
Log S (ESOL)
-6.57
Class (ESOL)
Insoluble
Log S (Ali)
-7.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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