CAS RN: 2627156-73-2
4-(pyridin-4-ylethynyl)-1-naphthoic 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.20250116 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2627156-73-2
- Purity/Analytical Methods: >99.0%
2627156-73-2 / 4-(2-pyridin-4-ylethynyl)naphthalene-1-carboxylic acid
Basic Information
CAS
2627156-73-2
Multi CAS
No
Molecular Formula
C18H11NO2
Molecular Weight
273.300000
Exact Mass
273.078979
SMILES
C1=CC=C2C(=C1)C(=CC=C2C(=O)O)C#CC3=CC=NC=C3
InChI
InChI=1S/C18H11NO2/c20-18(21)17-8-7-14(15-3-1-2-4-16(15)17)6-5-13-9-11-19-12-10-13/h1-4,7-12H,(H,20,21)
InChIKey
YASKEXLSRIQFNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
81.12
TPSA
50.19
LogP / Solubility
WLOGP
3.33
MLOGP
2.94
XLogP3
3.6
Consensus LogP
3.29
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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