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CAS RN: 1428728-83-9
Axitinib Impurity 2
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.20250919 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1428728-83-9
- Purity/Analytical Methods: >99.0%
1428728-83-9 / N-methyl-2-[[6-[3-[3-[2-(methylcarbamoyl)phenyl]sulfanyl-1H-indazol-6-yl]-2,4-dipyridin-2-ylcyclobutyl]-1H-indazol-3-yl]sulfanyl]benzamide
Basic Information
CAS
1428728-83-9
Multi CAS
No
Molecular Formula
C44H36N8O2S2
Molecular Weight
772.900000
Exact Mass
772.240265
SMILES
CNC(=O)C1=CC=CC=C1SC2=NNC3=C2C=CC(=C3)C4C(C(C4C5=CC=CC=N5)C6=CC7=C(C=C6)C(=NN7)SC8=CC=CC=C8C(=O)NC)C9=CC=CC=N9
InChI
InChI=1S/C44H36N8O2S2/c1-45-41(53)29-11-3-5-15-35(29)55-43-27-19-17-25(23-33(27)49-51-43)37-39(31-13-7-9-21-47-31)38(40(37)32-14-8-10-22-48-32)26-18-20-28-34(24-26)50-52-44(28)56-36-16-6-4-12-30(36)42(54)46-2/h3-24,37-40H,1-2H3,(H,45,53)(H,46,54)(H,49,51)(H,50,52)
InChIKey
AMFHQHPHCWAIPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
42
Fraction Csp3
0.14
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
4
Molar refractivity
219.54
TPSA
141.34
LogP / Solubility
WLOGP
8.7
MLOGP
7.72
XLogP3
7.5
Consensus LogP
7.97
Log S (ESOL)
-10.01
Class (ESOL)
Insoluble
Log S (Ali)
-12.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.1
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1428774-45-1 1-((3R,4R)-3-(((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)methyl)-4-methoxypyrrolidin-1-yl)prop-2-en-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1428774-45-1.gif)
