CAS RN: 57841-70-0
2-CHLORO-N-CYCLOHEXYLNICOTINAMIDE
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.20250511 | 50mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS57841-70-0
- Purity/Analytical Methods: >99.0%
57841-70-0 / 2-chloro-N-cyclohexylpyridine-3-carboxamide
Basic Information
CAS
57841-70-0
Multi CAS
No
Molecular Formula
C12H15CLN2O
Molecular Weight
238.710000
Exact Mass
238.087291
InChI
InChI=1S/C12H15ClN2O/c13-11-10(7-4-8-14-11)12(16)15-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,15,16)
InChIKey
DWMGLWCQLGOYOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.59
TPSA
41.99
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
2.9
Consensus LogP
2.72
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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