CAS RN: 75117-26-9
Benzeneacetamide, 2-iodo-N,N-dimethyl-
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.20250619 | 50mg / 250mg / 1g | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS75117-26-9
- Purity/Analytical Methods: >99.0%
75117-26-9 / 2-(2-iodophenyl)-N,N-dimethylacetamide
Basic Information
CAS
75117-26-9
Multi CAS
No
Molecular Formula
C10H12InO
Molecular Weight
289.110000
Exact Mass
288.996360
InChI
InChI=1S/C10H12INO/c1-12(2)10(13)7-8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3
InChIKey
BPDRJYYNQKBYBG-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
Molar refractivity
61.56
TPSA
20.31
LogP / Solubility
WLOGP
1.92
MLOGP
1.7
XLogP3
2.3
Consensus LogP
1.97
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-3.12
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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