CAS RN: 656247-18-6
Nintedanib Ethanesulfonate Salt
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250326 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250930 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260612 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250503 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260115 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250117 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS656247-18-6
- Purity/Analytical Methods: >99.0%
656247-18-6 / ethanesulfonic acid;methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
Basic Information
CAS
656247-18-6
Multi CAS
Yes
Molecular Formula
C33H39N5O7S
Molecular Weight
649.800000
Exact Mass
649.257020
InChI
InChI=1S/C31H33N5O4.C2H6O3S/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38;1-2-6(3,4)5/h4-14,19,33,38H,15-18,20H2,1-3H3;2H2,1H3,(H,3,4,5)
InChIKey
ZNMRDZZRAFJOKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
21
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
3
Molar refractivity
178.92
TPSA
155.84
LogP / Solubility
WLOGP
3.93
MLOGP
3.52
XLogP3
3.93
Consensus LogP
3.79
Log S (ESOL)
-6.16
Class (ESOL)
Insoluble
Log S (Ali)
-7.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.11
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)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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