CAS RN: 885276-97-1
6-(2-AMINO-PHENYL)-PYRIDINE-2-CARBOXYLIC 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.20250209 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS885276-97-1
- Purity/Analytical Methods: >99.0%
885276-97-1 / 6-(2-aminophenyl)pyridine-2-carboxylic acid
Basic Information
CAS
885276-97-1
Multi CAS
No
Molecular Formula
C12H10N2O2
Molecular Weight
214.220000
Exact Mass
214.074228
InChI
InChI=1S/C12H10N2O2/c13-9-5-2-1-4-8(9)10-6-3-7-11(14-10)12(15)16/h1-7H,13H2,(H,15,16)
InChIKey
NOFQODFKSHIMEW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.04
TPSA
76.21
LogP / Solubility
WLOGP
2.03
MLOGP
1.79
XLogP3
1.7
Consensus LogP
1.84
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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