![CAS 911378-38-6 1-[4-IODOBENZYL]-4-[[2-[3-ISOPROPOXY]PYRIDYL]-METHYLAMINO]PIPERIDINE MALEATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2668895.gif)
CAS RN: 911378-38-6
1-[4-IODOBENZYL]-4-[[2-[3-ISOPROPOXY]PYRIDYL]-METHYLAMINO]PIPERIDINE MALEATE
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.20250606 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS911378-38-6
- Purity/Analytical Methods: >99.0%
911378-38-6 / (Z)-but-2-enedioic acid;N-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-N-methyl-3-propan-2-yloxypyridin-2-amine
Basic Information
CAS
911378-38-6
Multi CAS
Yes
Molecular Formula
C25H32In3O5
Molecular Weight
581.400000
Exact Mass
581.138670
InChI
InChI=1S/C21H28IN3O.C4H4O4/c1-16(2)26-20-5-4-12-23-21(20)24(3)19-10-13-25(14-11-19)15-17-6-8-18(22)9-7-17;5-3(6)1-2-4(7)8/h4-9,12,16,19H,10-11,13-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
NIRRRTUKUHIOTQ-BTJKTKAUSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
140.27
TPSA
103.2
LogP / Solubility
WLOGP
4.29
MLOGP
3.82
XLogP3
4.29
Consensus LogP
4.13
Log S (ESOL)
-5.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.96
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)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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