CAS RN: 1108743-60-7
Entrectinib
Product Availability
Choose a grade to view its available package options.
16 package records16 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260418 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250220 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250218 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260622 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250617 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260115 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260328 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260616 | 50mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250919 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20250326 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250324 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS1108743-60-7
- Purity/Analytical Methods: >99.0%
1108743-60-7 / N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
Entrectinib | Rozlytrek | RXDX-101
Basic Information
CAS
1108743-60-7
Multi CAS
Yes
Molecular Formula
C31H34F2N6O2
Molecular Weight
560.600000
Exact Mass
560.271131
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6
InChI
InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
InChIKey
HAYYBYPASCDWEQ-UHFFFAOYSA-N
Synonyms
Entrectinib
Rozlytrek
RXDX-101
NMS-E628
entrectinibum
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
21
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
156.83
TPSA
85.52
LogP / Solubility
WLOGP
5.03
MLOGP
4.47
XLogP3
5.7
Consensus LogP
5.07
Log S (ESOL)
-6.4
Class (ESOL)
Insoluble
Log S (Ali)
-7.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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