CAS RN: 2407957-87-1
EGFR-IN-8
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.20260508 | 1mg / 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2407957-87-1
- Purity/Analytical Methods: >99.0%
2407957-87-1 / N-[3-chloro-4-[5-[3-[[4-(cyclopropanecarbonylamino)-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
Basic Information
CAS
2407957-87-1
Multi CAS
No
Molecular Formula
C32H23ClF3N7O4
Molecular Weight
662.000000
Exact Mass
661.145214
SMILES
C1CC1C(=O)NC2=C(C=C(C=C2)NC(=O)NC3=CC=CC(=C3)C4=NC(=NO4)C5=C(C=C(C=C5)NC(=O)C6=CN=CC=C6)Cl)C(F)(F)F
InChI
InChI=1S/C32H23ClF3N7O4/c33-25-15-22(38-29(45)19-4-2-12-37-16-19)8-10-23(25)27-42-30(47-43-27)18-3-1-5-20(13-18)39-31(46)40-21-9-11-26(24(14-21)32(34,35)36)41-28(44)17-6-7-17/h1-5,8-17H,6-7H2,(H,38,45)(H,41,44)(H2,39,40,46)
InChIKey
IIUNSVLRVWGJRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
29
Fraction Csp3
0.12
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
4
Molar refractivity
167.81
TPSA
151.14
LogP / Solubility
WLOGP
7.72
MLOGP
6.85
XLogP3
4.9
Consensus LogP
6.49
Log S (ESOL)
-8.73
Class (ESOL)
Insoluble
Log S (Ali)
-10.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.33
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)
-1.28
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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