CAS RN: 794539-14-3
PZYDJAWERUKJRG-UHFFFAOYSA-N
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250530 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS794539-14-3
- Purity/Analytical Methods: >99.0%
794539-14-3 / N-cyclopropyl-4-iodobenzamide
Basic Information
CAS
794539-14-3
Multi CAS
No
Molecular Formula
C10H10InO
Molecular Weight
287.100000
Exact Mass
286.980710
InChI
InChI=1S/C10H10INO/c11-8-3-1-7(2-4-8)10(13)12-9-5-6-9/h1-4,9H,5-6H2,(H,12,13)
InChIKey
PZYDJAWERUKJRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.65
TPSA
29.1
LogP / Solubility
WLOGP
2.18
MLOGP
1.93
XLogP3
2.4
Consensus LogP
2.17
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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