CAS RN: 945595-80-2
AMG 900
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9 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20260302 |
10mg / 50mg |
Out of stock |
5-7 business days | Inquiry |
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20251216 |
1ml |
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| Batchno.20260501 |
100mg |
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| Batchno.20250726 |
10mg |
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| Batchno.20250204 |
1mg |
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| Batchno.20250506 |
250mg |
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| Batchno.20250710 |
25mg |
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| Batchno.20250114 |
50mg |
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| Batchno.20250529 |
5mg |
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Product code:
starshine_CAS945595-80-2
-
Purity/Analytical Methods:
>99.0%
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945595-80-2 / N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine
Standard CAS: 945595-80-2
Multi CAS: No
Basic Information
CAS
945595-80-2
Multi CAS
No
Molecular Formula
C28H21N7OS
Molecular Weight
503.600000
Exact Mass
503.152829
InChI
InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33)
InChIKey
IVUGFMLRJOCGAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
33
Fraction Csp3
0.04
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
2
Molar refractivity
147.06
TPSA
111.73
LogP / Solubility
WLOGP
6.64
MLOGP
5.88
XLogP3
5.1
Consensus LogP
5.87
Log S (ESOL)
-7.41
Class (ESOL)
Insoluble
Log S (Ali)
-8.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.08
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5