CAS RN: 1347304-18-0
Axitinib Impurity a
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.20260530 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1347304-18-0
- Purity/Analytical Methods: >99.0%
1347304-18-0 / N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfinyl]benzamide
Basic Information
CAS
1347304-18-0
Multi CAS
No
Molecular Formula
C22H18N4O2S
Molecular Weight
402.500000
Exact Mass
402.115047
SMILES
CNC(=O)C1=CC=CC=C1S(=O)C2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4
InChI
InChI=1S/C22H18N4O2S/c1-23-22(27)18-7-2-3-8-21(18)29(28)16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
InChIKey
MAHSNFBPPYMWFB-FMIVXFBMSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
113.77
TPSA
87.74
LogP / Solubility
WLOGP
3.65
MLOGP
3.24
XLogP3
2.9
Consensus LogP
3.26
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501
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