CAS RN: 854267-91-7
1-(6-chloro-3-pyridinyl)Cyclopropanecarboxamide
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.20250703 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS854267-91-7
- Purity/Analytical Methods: >99.0%
854267-91-7 / 1-(6-chloro-3-pyridinyl)cyclopropane-1-carboxamide
Basic Information
CAS
854267-91-7
Multi CAS
Yes
Molecular Formula
C9H9CLN2O
Molecular Weight
196.630000
Exact Mass
196.040341
InChI
InChI=1S/C9H9ClN2O/c10-7-2-1-6(5-12-7)9(3-4-9)8(11)13/h1-2,5H,3-4H2,(H2,11,13)
InChIKey
NWDOEOQGGNSTBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.35
TPSA
55.98
LogP / Solubility
WLOGP
1.25
MLOGP
1.1
XLogP3
1
Consensus LogP
1.12
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03
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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