CAS RN: 1262000-45-2
2-(naphthalen-2-yl)nicotinic acid
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.20251022 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1262000-45-2
- Purity/Analytical Methods: >99.0%
1262000-45-2 / 2-naphthalen-2-ylpyridine-3-carboxylic acid
Basic Information
CAS
1262000-45-2
Multi CAS
No
Molecular Formula
C16H11NO2
Molecular Weight
249.260000
Exact Mass
249.078979
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=C(C=CC=N3)C(=O)O
InChI
InChI=1S/C16H11NO2/c18-16(19)14-6-3-9-17-15(14)13-8-7-11-4-1-2-5-12(11)10-13/h1-10H,(H,18,19)
InChIKey
AAIUSJJGNGPUSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.14
TPSA
50.19
LogP / Solubility
WLOGP
3.6
MLOGP
3.17
XLogP3
3.3
Consensus LogP
3.36
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly 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)
-1.68
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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