CAS RN: 864685-40-5
5-(3′-HYDROXYPHENYL)-PYRIDINE-3-CARBOXAMIDE
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.20250104 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS864685-40-5
- Purity/Analytical Methods: >99.0%
864685-40-5 / 5-(3-hydroxyphenyl)pyridine-3-carboxamide
Basic Information
CAS
864685-40-5
Multi CAS
No
Molecular Formula
C12H10N2O2
Molecular Weight
214.220000
Exact Mass
214.074228
InChI
InChI=1S/C12H10N2O2/c13-12(16)10-4-9(6-14-7-10)8-2-1-3-11(15)5-8/h1-7,15H,(H2,13,16)
InChIKey
WVJZXAJVOOFTRI-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
59.86
TPSA
76.21
LogP / Solubility
WLOGP
1.55
MLOGP
1.37
XLogP3
1
Consensus LogP
1.31
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92
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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