CAS RN: 70301-27-8
N-(2-methoxyphenyl)nicotinamide
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.20250807 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS70301-27-8
- Purity/Analytical Methods: >99.0%
70301-27-8 / N-(2-methoxyphenyl)pyridine-3-carboxamide
Basic Information
CAS
70301-27-8
Multi CAS
No
Molecular Formula
C13H12N2O2
Molecular Weight
228.250000
Exact Mass
228.089878
InChI
InChI=1S/C13H12N2O2/c1-17-12-7-3-2-6-11(12)15-13(16)10-5-4-8-14-9-10/h2-9H,1H3,(H,15,16)
InChIKey
JTYKITZXNYVOSY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.18
TPSA
51.22
LogP / Solubility
WLOGP
2.34
MLOGP
2.06
XLogP3
1.7
Consensus LogP
2.03
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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