CAS RN: 433336-90-4
2-(6-chloropyridin-3-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.20260508 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS433336-90-4
- Purity/Analytical Methods: >99.0%
433336-90-4 / 2-(6-chloro-3-pyridinyl)acetamide
Basic Information
CAS
433336-90-4
Multi CAS
No
Molecular Formula
C7H7CLN2O
Molecular Weight
170.590000
Exact Mass
170.024691
InChI
InChI=1S/C7H7ClN2O/c8-6-2-1-5(4-10-6)3-7(9)11/h1-2,4H,3H2,(H2,9,11)
InChIKey
RMLYRHJEKCFPAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.15
TPSA
55.98
LogP / Solubility
WLOGP
0.76
MLOGP
0.67
XLogP3
0.6
Consensus LogP
0.68
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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