![CAS 149982-11-6 6′,2”]Terpyridine-6,6”-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/149982-11-6.gif)
CAS RN: 149982-11-6
6′,2”]Terpyridine-6,6”-dicarboxylic 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.20251225 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS149982-11-6
- Purity/Analytical Methods: >99.0%
149982-11-6 / 6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]pyridine-2-carboxylic acid
Basic Information
CAS
149982-11-6
Multi CAS
No
Molecular Formula
C17H11N3O4
Molecular Weight
321.290000
Exact Mass
321.074956
SMILES
C1=CC(=NC(=C1)C2=NC(=CC=C2)C(=O)O)C3=NC(=CC=C3)C(=O)O
InChI
InChI=1S/C17H11N3O4/c21-16(22)14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(20-13)17(23)24/h1-9H,(H,21,22)(H,23,24)
InChIKey
IBKNKOTZIPJEKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
84.62
TPSA
113.27
LogP / Solubility
WLOGP
2.6
MLOGP
2.3
XLogP3
1.8
Consensus LogP
2.23
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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