CAS RN: 250263-39-9
2-Chloro-N-methoxy-N-methylisonicotinamide
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.20250109 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS250263-39-9
- Purity/Analytical Methods: >99.0%
250263-39-9 / 2-chloro-N-methoxy-N-methylpyridine-4-carboxamide
Basic Information
CAS
250263-39-9
Multi CAS
No
Molecular Formula
C8H9ClN2O2
Molecular Weight
200.620000
Exact Mass
200.035255
SMILES
CN(C(=O)C1=CC(=NC=C1)Cl)OC
InChI
InChI=1S/C8H9ClN2O2/c1-11(13-2)8(12)6-3-4-10-7(9)5-6/h3-5H,1-2H3
InChIKey
RJWKHBDGHZXZPD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
48.35
TPSA
42.43
LogP / Solubility
WLOGP
1.37
MLOGP
1.2
XLogP3
1.3
Consensus LogP
1.29
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.97
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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- Product Code: starshine_CAS250275-00-4
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