CAS RN: 26893-72-1
6-Acetamidopicolinic acid, 6-(Acetylamino)pyridine-2-carboxylic acid
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251211 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS26893-72-1
- Purity/Analytical Methods: >99.0%
26893-72-1 / 6-acetamidopyridine-2-carboxylic acid
Basic Information
CAS
26893-72-1
Multi CAS
No
Molecular Formula
C8H8N2O3
Molecular Weight
180.160000
Exact Mass
180.053492
SMILES
CC(=O)NC1=CC=CC(=N1)C(=O)O
InChI
InChI=1S/C8H8N2O3/c1-5(11)9-7-4-2-3-6(10-7)8(12)13/h2-4H,1H3,(H,12,13)(H,9,10,11)
InChIKey
LOMWKYHCHCZVCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.5
TPSA
79.29
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.2
Consensus LogP
0.53
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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