CAS RN: 1639137-80-6
Axitinib Impurity 27
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.20250131 | 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1639137-80-6
- Purity/Analytical Methods: >99.0%
1639137-80-6 / 2-[1-acetyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanyl-N-methylbenzamide
Basic Information
CAS
1639137-80-6
Multi CAS
No
Molecular Formula
C24H20N4O2S
Molecular Weight
428.500000
Exact Mass
428.130697
SMILES
CC(=O)N1C2=C(C=CC(=C2)SC3=CC=CC=C3C(=O)NC)C(=N1)/C=C/C4=CC=CC=N4
InChI
InChI=1S/C24H20N4O2S/c1-16(29)28-22-15-18(31-23-9-4-3-8-20(23)24(30)25-2)11-12-19(22)21(27-28)13-10-17-7-5-6-14-26-17/h3-15H,1-2H3,(H,25,30)/b13-10+
InChIKey
DPCLTPPDTUVUIL-JLHYYAGUSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
21
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
123.15
TPSA
76.88
LogP / Solubility
WLOGP
4.77
MLOGP
4.23
XLogP3
4.1
Consensus LogP
4.37
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.01
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.95
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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