CAS RN: 119391-56-9
MAChR-IN-1
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.20260101 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS119391-56-9
- Purity/Analytical Methods: >99.0%
119391-56-9 / 3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
Iododexetimide | X1QQA2O0IW | UNII-X1QQA2O0IW
Basic Information
CAS
119391-56-9
Multi CAS
Yes
Molecular Formula
C23H25IN2O2
Molecular Weight
488.400000
Exact Mass
488.096080
SMILES
C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)I
InChI
InChI=1S/C23H25IN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)
InChIKey
WJLRTFJPHDSXAF-UHFFFAOYSA-N
Synonyms
Iododexetimide
X1QQA2O0IW
UNII-X1QQA2O0IW
(3,4'-Bipiperidine)-2,6-dione, 1'-((4-iodophenyl)methyl)-3-phenyl-, (3S)-
(3S)-1'-((4-Iodophenyl)methyl)-3-phenyl(3,4'-bipiperidine)-2,6-dione
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
117.66
TPSA
49.41
LogP / Solubility
WLOGP
3.88
MLOGP
3.45
XLogP3
3.8
Consensus LogP
3.71
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.95
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
3.5
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