CAS RN: 211029-68-4
N-(3-Iodopyridin-4-yl)acetamide
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.20251105 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS211029-68-4
- Purity/Analytical Methods: >99.0%
211029-68-4 / N-(3-iodo-4-pyridinyl)acetamide
Basic Information
CAS
211029-68-4
Multi CAS
No
Molecular Formula
C7H7IN2O
Molecular Weight
262.050000
Exact Mass
261.960310
SMILES
CC(=O)NC1=C(C=NC=C1)I
InChI
InChI=1S/C7H7IN2O/c1-5(11)10-7-2-3-9-4-6(7)8/h2-4H,1H3,(H,9,10,11)
InChIKey
VNWPDFUCAJUWMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.26
TPSA
41.99
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
0.7
Consensus LogP
1.26
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-3.15
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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