CAS RN: 1646288-19-8
6-(HYDROXYMETHYL)-3-METHOXYPICOLINONITRILE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260315 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250502 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251021 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260303 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260321 | 50mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1646288-19-8
- Purity/Analytical Methods: >99.0%
1646288-19-8 / 6-(hydroxymethyl)-3-methoxypyridine-2-carbonitrile
Basic Information
CAS
1646288-19-8
Multi CAS
No
Molecular Formula
C8H8N2O2
Molecular Weight
164.160000
Exact Mass
164.058578
SMILES
COC1=C(N=C(C=C1)CO)C#N
InChI
InChI=1S/C8H8N2O2/c1-12-8-3-2-6(5-11)10-7(8)4-9/h2-3,11H,5H2,1H3
InChIKey
AVFSUJZQVVZTKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.43
TPSA
66.14
LogP / Solubility
WLOGP
0.45
MLOGP
0.4
Consensus LogP
0.28
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-3.4
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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