CAS RN: 727736-63-2
METHYL 6-CYANO-5-HYDROXYPICOLINATE
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.20250107 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS727736-63-2
- Purity/Analytical Methods: >99.0%
727736-63-2 / methyl 6-cyano-5-hydroxypyridine-2-carboxylate
Basic Information
CAS
727736-63-2
Multi CAS
No
Molecular Formula
C8H6N2O3
Molecular Weight
178.140000
Exact Mass
178.037842
InChI
InChI=1S/C8H6N2O3/c1-13-8(12)5-2-3-7(11)6(4-9)10-5/h2-3,11H,1H3
InChIKey
IWTIJXBNWUKZRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
41.96
TPSA
83.21
LogP / Solubility
WLOGP
0.45
MLOGP
0.39
XLogP3
1.3
Consensus LogP
0.71
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
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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![CAS 727975-78-2 6-METHYL-2-PHENYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4782317.gif)
