CAS RN: 155054-42-5
4-IPAB
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.20250623 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS155054-42-5
- Purity/Analytical Methods: >99.0%
155054-42-5 / 4-iodo-N-(2-piperidin-1-ylethyl)benzamide
Basic Information
CAS
155054-42-5
Multi CAS
No
Molecular Formula
C14H19IN2O
Molecular Weight
358.220000
Exact Mass
358.054210
SMILES
C1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)I
InChI
InChI=1S/C14H19IN2O/c15-13-6-4-12(5-7-13)14(18)16-8-11-17-9-2-1-3-10-17/h4-7H,1-3,8-11H2,(H,16,18)
InChIKey
WCMWVYQHPUQKHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
81.78
TPSA
32.34
LogP / Solubility
WLOGP
2.51
MLOGP
2.23
XLogP3
2.7
Consensus LogP
2.48
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.13
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
1.5
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