CAS RN: 329003-19-2
N-(tert-butyl)-2-iodobenzamide
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.20250601 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS329003-19-2
- Purity/Analytical Methods: >99.0%
329003-19-2 / N-tert-butyl-2-iodobenzamide
Basic Information
CAS
329003-19-2
Multi CAS
No
Molecular Formula
C11H14InO
Molecular Weight
303.140000
Exact Mass
303.012010
InChI
InChI=1S/C11H14INO/c1-11(2,3)13-10(14)8-6-4-5-7-9(8)12/h4-7H,1-3H3,(H,13,14)
InChIKey
UMHMUOUBXYRXCW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.38
TPSA
29.1
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.2
Consensus LogP
2.5
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.09
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
No
Log Kp (skin permeation)
-2.57
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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