CAS RN: 1835283-94-7
Pan-RAS-IN-1
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250828 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1835283-94-7
- Purity/Analytical Methods: >99.0%
1835283-94-7 / 4-amino-N-[3-[5-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
Basic Information
CAS
1835283-94-7
Multi CAS
No
Molecular Formula
C36H41Cl2F3N6O2
Molecular Weight
717.600000
Exact Mass
716.262014
SMILES
C1CNCCC1(C(=O)NCCCN2C=C(C3=C2C=CC(=C3)CN4CCN(CC4)CC5=C(C=CC=C5Cl)Cl)C6=CC=C(C=C6)OC(F)(F)F)N
InChI
InChI=1S/C36H41Cl2F3N6O2/c37-31-3-1-4-32(38)30(31)23-46-19-17-45(18-20-46)22-25-5-10-33-28(21-25)29(26-6-8-27(9-7-26)49-36(39,40)41)24-47(33)16-2-13-44-34(48)35(42)11-14-43-15-12-35/h1,3-10,21,24,43H,2,11-20,22-23,42H2,(H,44,48)
InChIKey
GMDFJPPJWWJNKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Aromatic heavy atom count
21
Fraction Csp3
0.42
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
3
Molar refractivity
187.72
TPSA
87.79
LogP / Solubility
WLOGP
6.42
MLOGP
5.71
XLogP3
5.8
Consensus LogP
5.98
Log S (ESOL)
-7.92
Class (ESOL)
Insoluble
Log S (Ali)
-10.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.97
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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![CAS 1835683-68-5 2-[1,1′-Biphenyl]-2-yl-4-chloro-6-phenyl-1,3,5-triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1835683-68-5.gif)
