CAS RN: 2166387-64-8
BI-3812
Product Availability
Choose a grade to view its available package options.
14 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250506 | 100mg | Out of stock | Inquiry | |
| Batchno.20250106 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250725 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250111 | 250mg | Out of stock | Inquiry | |
| Batchno.20250220 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250301 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20250224 | 50mg | Out of stock | Inquiry | |
| Batchno.20260410 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2166387-64-8
- Purity/Analytical Methods: >99.0%
2166387-64-8 / 1-[5-chloro-4-[[8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxoquinolin-6-yl]amino]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
Basic Information
CAS
2166387-64-8
Multi CAS
No
Molecular Formula
C26H32ClN7O5
Molecular Weight
558.000000
Exact Mass
557.215345
SMILES
CNC(=O)COC1=CC2=CC(=CC(=C2N(C1=O)C)OC)NC3=NC(=NC=C3Cl)N4CCC(CC4)C(=O)N(C)C
InChI
InChI=1S/C26H32ClN7O5/c1-28-21(35)14-39-20-11-16-10-17(12-19(38-5)22(16)33(4)25(20)37)30-23-18(27)13-29-26(31-23)34-8-6-15(7-9-34)24(36)32(2)3/h10-13,15H,6-9,14H2,1-5H3,(H,28,35)(H,29,30,31)
InChIKey
XCGYXEVLQIIEJH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
16
Fraction Csp3
0.42
Rotatable bonds
8
H-bond acceptors
10
H-bond donors
2
Molar refractivity
149.26
TPSA
130.92
LogP / Solubility
WLOGP
2.16
MLOGP
1.95
XLogP3
2.2
Consensus LogP
2.1
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
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
No
Log Kp (skin permeation)
-4.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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